 Entering Gaussian System, Link 0=g16
 Input=18_methylcyclopentanone_Chair_STD_wB97XD-augccpVDZr.in
 Output=18_methylcyclopentanone_Chair_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/18_methylcyclopentanone_Chair_STD/Gau-7098.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/18_methylcyclopentanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      7099.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=18_methylcyclopentanone_Chair_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:59:19 2021, MaxMem= 10737418240 cpu:               2.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_wB97XD-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.561346000000      1.265532000000      0.172998000000
  C                                                 1.075011000000     -0.082384000000     -0.372450000000
  C                                                -0.949016000000      1.226539000000     -0.069358000000
  C                                                -1.318654000000     -0.252798000000      0.015396000000
  C                                                -0.029451000000     -1.065890000000      0.032823000000
  H                                                -1.198655000000      1.562128000000     -1.081455000000
  H                                                -1.551039000000      1.816556000000      0.620921000000
  O                                                -2.436471000000     -0.697326000000      0.059393000000
  H                                                -0.115613000000     -1.955716000000     -0.590107000000
  H                                                 0.122949000000     -1.406004000000      1.064587000000
  H                                                 1.054617000000      2.117373000000     -0.295556000000
  H                                                 0.767800000000      1.319480000000      1.246510000000
  C                                                 2.468129000000     -0.457422000000      0.107541000000
  H                                                 1.085579000000     -0.017304000000     -1.466677000000
  H                                                 2.491050000000     -0.538135000000      1.197571000000
  H                                                 3.202798000000      0.295018000000     -0.187539000000
  H                                                 2.788086000000     -1.416262000000     -0.305093000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     17 NQM=       17 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12           1           1          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           1           1           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17
 IAtWgt=           1           1          12           1           1           1           1
 AtmWgt=   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           0           1           1           1           1
 AtZEff=   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul  8 21:59:20 2021, MaxMem= 10737418240 cpu:               2.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457422    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538135    1.197571
     16          1           0        3.202798    0.295018   -0.187539
     17          1           0        2.788086   -1.416262   -0.305093
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.542155   0.000000
     3  C    1.530180   2.429368   0.000000
     4  C    2.421686   2.430864   1.527172   0.000000
     5  C    2.409195   1.533417   2.472099   1.524292   0.000000
     6  H    2.181565   2.894247   1.095116   2.124015   3.084661
     7  H    2.228549   3.389528   1.089512   2.168615   3.312036
     8  O    3.585056   3.590981   2.435232   1.203767   2.435219
     9  H    3.378911   2.230321   3.330539   2.171145   1.089613
    10  H    2.850303   2.173354   3.060265   2.123418   1.097014
    11  H    1.090180   2.201195   2.204381   3.368504   3.378787
    12  H    1.094514   2.163477   2.165087   2.888077   2.792604
    13  C    2.570735   1.520468   3.813646   3.793427   2.571716
    14  H    2.146863   1.096212   2.763914   2.834137   2.142738
    15  H    2.833147   2.162832   4.068567   3.999100   2.826321
    16  H    2.837103   2.168894   4.256672   4.559036   3.513981
    17  H    3.518375   2.172186   4.583219   4.280383   2.859277
                    6          7          8          9         10
     6  H    0.000000
     7  H    1.756984   0.000000
     8  O    2.817597   2.723767   0.000000
     9  H    3.713439   4.213914   2.718782   0.000000
    10  H    3.893834   3.658411   2.839590   1.759860   0.000000
    11  H    2.450137   2.778464   4.498468   4.248088   3.890010
    12  H    3.056999   2.452644   3.967884   3.857524   2.806634
    13  C    4.351735   4.646315   4.910700   3.067136   2.704739
    14  H    2.803699   3.830517   3.898225   2.443088   3.043426
    15  H    4.818608   4.713340   5.059768   3.464105   2.525625
    16  H    4.666631   5.056447   5.731237   4.029853   3.734537
    17  H    5.036631   5.489683   5.286371   2.967105   2.996512
                   11         12         13         14         15
    11  H    0.000000
    12  H    1.759791   0.000000
    13  C    2.964806   2.710304   0.000000
    14  H    2.435021   3.041276   2.140867   0.000000
    15  H    3.368158   2.534308   1.093254   3.056932   0.000000
    16  H    2.819100   3.005867   1.092235   2.493262   1.766142
    17  H    3.935935   3.738089   1.091794   2.490962   1.765598
                   16         17
    16  H    0.000000
    17  H    1.764733   0.000000
 Stoichiometry    C6H10O
 Framework group  C1[X(C6H10O)]
 Deg. of freedom    45
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.19D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.561346    1.265532    0.172998
      2          6           0        1.075011   -0.082384   -0.372450
      3          6           0       -0.949016    1.226539   -0.069358
      4          6           0       -1.318654   -0.252798    0.015396
      5          6           0       -0.029451   -1.065890    0.032823
      6          1           0       -1.198655    1.562128   -1.081455
      7          1           0       -1.551039    1.816556    0.620921
      8          8           0       -2.436471   -0.697326    0.059393
      9          1           0       -0.115613   -1.955716   -0.590107
     10          1           0        0.122949   -1.406004    1.064587
     11          1           0        1.054617    2.117373   -0.295556
     12          1           0        0.767800    1.319480    1.246510
     13          6           0        2.468129   -0.457421    0.107541
     14          1           0        1.085579   -0.017304   -1.466677
     15          1           0        2.491050   -0.538134    1.197571
     16          1           0        3.202798    0.295019   -0.187539
     17          1           0        2.788086   -1.416261   -0.305093
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           5.4414929           1.9527670           1.5305717
 Leave Link  202 at Thu Jul  8 21:59:21 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       6      7      9     10     11     12     14     15     16     17
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5     13
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 276 were deleted.
 There are   265 symmetry adapted cartesian basis functions of A   symmetry.
 There are   251 symmetry adapted basis functions of A   symmetry.
   251 basis functions,   449 primitive gaussians,   265 cartesian basis functions
    27 alpha electrons       27 beta electrons
       nuclear repulsion energy       306.1006696928 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   17 NActive=   17 NUniq=   17 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0098507009 Hartrees.
 Nuclear repulsion after empirical dispersion term =      306.0908189920 Hartrees.
 Leave Link  301 at Thu Jul  8 21:59:23 2021, MaxMem= 10737418240 cpu:              34.8 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   251 RedAO= T EigKep=  1.09D-05  NBF=   251
 NBsUse=   251 1.00D-06 EigRej= -1.00D+00 NBFU=   251
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   265   265   265   265   265 MxSgAt=    17 MxSgA2=    17.
 Leave Link  302 at Thu Jul  8 21:59:24 2021, MaxMem= 10737418240 cpu:               6.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:59:24 2021, MaxMem= 10737418240 cpu:               1.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "18_methylcyclopentanone_Chair_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:59:25 2021, MaxMem= 10737418240 cpu:               4.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737270897 LenY= 10737200231
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -309.828849963628    
 DIIS: error= 1.57D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -309.828849963628     IErMin= 1 ErrMin= 1.57D-03
 ErrMax= 1.57D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-03 BMatP= 3.58D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.57D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.377 Goal=   None    Shift=    0.000
 GapD=    0.377 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.74D-03 MaxDP=5.91D-01              OVMax= 1.49D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  8.52D-03    CP:  1.08D+00
 E= -309.832015128339     Delta-E=       -0.003165164711 Rises=F Damp=F
 DIIS: error= 4.31D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -309.832015128339     IErMin= 2 ErrMin= 4.31D-04
 ErrMax= 4.31D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.37D-05 BMatP= 3.58D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.31D-03
 Coeff-Com: -0.413D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.411D-01 0.104D+01
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.38D-03 MaxDP=7.63D-02 DE=-3.17D-03 OVMax= 5.73D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.51D-04    CP:  1.09D+00  1.13D+00
 E= -309.832062799421     Delta-E=       -0.000047671082 Rises=F Damp=F
 DIIS: error= 6.02D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -309.832062799421     IErMin= 2 ErrMin= 4.31D-04
 ErrMax= 6.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.11D-04 BMatP= 8.37D-05
 IDIUse=3 WtCom= 2.90D-01 WtEn= 7.10D-01
 Coeff-Com: -0.472D-01 0.584D+00 0.464D+00
 Coeff-En:   0.000D+00 0.277D+00 0.723D+00
 Coeff:     -0.137D-01 0.366D+00 0.648D+00
 Gap=     0.358 Goal=   None    Shift=    0.000
 RMSDP=1.71D-04 MaxDP=1.01D-02 DE=-4.77D-05 OVMax= 3.92D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.04D-04    CP:  1.09D+00  1.14D+00  1.14D+00
 E= -309.832114115479     Delta-E=       -0.000051316058 Rises=F Damp=F
 DIIS: error= 4.02D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -309.832114115479     IErMin= 4 ErrMin= 4.02D-04
 ErrMax= 4.02D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.31D-05 BMatP= 8.37D-05
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.02D-03
 Coeff-Com: -0.229D-02-0.599D-01 0.385D+00 0.677D+00
 Coeff-En:   0.000D+00 0.000D+00 0.292D+00 0.708D+00
 Coeff:     -0.228D-02-0.596D-01 0.385D+00 0.677D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.44D-04 MaxDP=1.02D-02 DE=-5.13D-05 OVMax= 1.42D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.89D-05    CP:  1.09D+00  1.15D+00  1.30D+00  1.04D+00
 E= -309.832145670898     Delta-E=       -0.000031555419 Rises=F Damp=F
 DIIS: error= 2.34D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -309.832145670898     IErMin= 5 ErrMin= 2.34D-05
 ErrMax= 2.34D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.56D-07 BMatP= 4.31D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.265D-02-0.652D-01 0.106D+00 0.245D+00 0.712D+00
 Coeff:      0.265D-02-0.652D-01 0.106D+00 0.245D+00 0.712D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.67D-05 MaxDP=2.66D-03 DE=-3.16D-05 OVMax= 2.25D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.43D-06    CP:  1.09D+00  1.15D+00  1.34D+00  1.14D+00  1.20D+00
 E= -309.832145968719     Delta-E=       -0.000000297820 Rises=F Damp=F
 DIIS: error= 4.67D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -309.832145968719     IErMin= 6 ErrMin= 4.67D-06
 ErrMax= 4.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.11D-09 BMatP= 2.56D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.617D-03-0.661D-02-0.562D-02-0.326D-02 0.132D+00 0.883D+00
 Coeff:      0.617D-03-0.661D-02-0.562D-02-0.326D-02 0.132D+00 0.883D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.00D-05 MaxDP=6.91D-04 DE=-2.98D-07 OVMax= 6.93D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.22D-06    CP:  1.09D+00  1.15D+00  1.35D+00  1.17D+00  1.29D+00
                    CP:  1.16D+00
 E= -309.832145984956     Delta-E=       -0.000000016237 Rises=F Damp=F
 DIIS: error= 1.00D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -309.832145984956     IErMin= 7 ErrMin= 1.00D-06
 ErrMax= 1.00D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.33D-10 BMatP= 9.11D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.789D-04 0.314D-02-0.788D-02-0.178D-01-0.338D-01 0.124D+00
 Coeff-Com:  0.932D+00
 Coeff:     -0.789D-04 0.314D-02-0.788D-02-0.178D-01-0.338D-01 0.124D+00
 Coeff:      0.932D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=2.76D-06 MaxDP=1.80D-04 DE=-1.62D-08 OVMax= 2.59D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  5.34D-07    CP:  1.09D+00  1.15D+00  1.36D+00  1.18D+00  1.32D+00
                    CP:  1.23D+00  1.23D+00
 E= -309.832145986367     Delta-E=       -0.000000001412 Rises=F Damp=F
 DIIS: error= 4.78D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -309.832145986367     IErMin= 8 ErrMin= 4.78D-07
 ErrMax= 4.78D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-10 BMatP= 7.33D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.727D-04 0.166D-02-0.229D-02-0.614D-02-0.229D-01-0.251D-01
 Coeff-Com:  0.326D+00 0.729D+00
 Coeff:     -0.727D-04 0.166D-02-0.229D-02-0.614D-02-0.229D-01-0.251D-01
 Coeff:      0.326D+00 0.729D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=3.22D-07 MaxDP=1.74D-05 DE=-1.41D-09 OVMax= 5.57D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.36D-07    CP:  1.09D+00  1.15D+00  1.36D+00  1.18D+00  1.33D+00
                    CP:  1.24D+00  1.30D+00  1.10D+00
 E= -309.832145986511     Delta-E=       -0.000000000144 Rises=F Damp=F
 DIIS: error= 7.86D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -309.832145986511     IErMin= 9 ErrMin= 7.86D-08
 ErrMax= 7.86D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-12 BMatP= 1.12D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.672D-05 0.102D-04 0.362D-03 0.565D-03-0.922D-03-0.155D-01
 Coeff-Com: -0.295D-01 0.120D+00 0.925D+00
 Coeff:     -0.672D-05 0.102D-04 0.362D-03 0.565D-03-0.922D-03-0.155D-01
 Coeff:     -0.295D-01 0.120D+00 0.925D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=1.16D-07 MaxDP=6.59D-06 DE=-1.44D-10 OVMax= 1.88D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.54D-08    CP:  1.09D+00  1.15D+00  1.36D+00  1.18D+00  1.32D+00
                    CP:  1.24D+00  1.31D+00  1.18D+00  1.10D+00
 E= -309.832145986509     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 1.99D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -309.832145986511     IErMin=10 ErrMin= 1.99D-08
 ErrMax= 1.99D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-13 BMatP= 4.70D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.384D-05-0.112D-03 0.221D-03 0.526D-03 0.133D-02-0.105D-02
 Coeff-Com: -0.264D-01-0.256D-01 0.165D+00 0.886D+00
 Coeff:      0.384D-05-0.112D-03 0.221D-03 0.526D-03 0.133D-02-0.105D-02
 Coeff:     -0.264D-01-0.256D-01 0.165D+00 0.886D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=4.54D-08 MaxDP=3.04D-06 DE= 2.16D-12 OVMax= 4.53D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.25D-08    CP:  1.09D+00  1.15D+00  1.36D+00  1.18D+00  1.32D+00
                    CP:  1.24D+00  1.31D+00  1.18D+00  1.16D+00  1.14D+00
 E= -309.832145986519     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 6.72D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -309.832145986519     IErMin=11 ErrMin= 6.72D-09
 ErrMax= 6.72D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.89D-14 BMatP= 2.84D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.141D-05-0.302D-04 0.386D-04 0.113D-03 0.403D-03 0.603D-03
 Coeff-Com: -0.520D-02-0.137D-01-0.131D-01 0.235D+00 0.796D+00
 Coeff:      0.141D-05-0.302D-04 0.386D-04 0.113D-03 0.403D-03 0.603D-03
 Coeff:     -0.520D-02-0.137D-01-0.131D-01 0.235D+00 0.796D+00
 Gap=     0.359 Goal=   None    Shift=    0.000
 RMSDP=9.60D-09 MaxDP=6.66D-07 DE=-1.01D-11 OVMax= 1.14D-07

 SCF Done:  E(RwB97XD) =  -309.832145987     A.U. after   11 cycles
            NFock= 11  Conv=0.96D-08     -V/T= 2.0064
 KE= 3.078562151405D+02 PE=-1.332582910073D+03 EE= 4.088037299540D+02
 Leave Link  502 at Thu Jul  8 22:00:35 2021, MaxMem= 10737418240 cpu:            1107.3 elap:              69.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   251
 NBasis=   251 NAE=    27 NBE=    27 NFC=     0 NFV=     0
 NROrb=    251 NOA=    27 NOB=    27 NVA=   224 NVB=   224

 **** Warning!!: The largest alpha MO coefficient is  0.71800427D+02

 Leave Link  801 at Thu Jul  8 22:00:35 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5263 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          17
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.01D-13 8.33D-09 XBig12= 1.00D+00 2.43D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.01D-13 8.33D-09 XBig12= 1.46D-01 1.01D-01.
     11 vectors produced by pass  2 Test12= 1.01D-13 8.33D-09 XBig12= 2.00D-02 3.32D-02.
     11 vectors produced by pass  3 Test12= 1.01D-13 8.33D-09 XBig12= 1.41D-03 7.83D-03.
     11 vectors produced by pass  4 Test12= 1.01D-13 8.33D-09 XBig12= 6.13D-05 1.53D-03.
     11 vectors produced by pass  5 Test12= 1.01D-13 8.33D-09 XBig12= 1.26D-06 2.50D-04.
     11 vectors produced by pass  6 Test12= 1.01D-13 8.33D-09 XBig12= 4.77D-08 4.54D-05.
     11 vectors produced by pass  7 Test12= 1.01D-13 8.33D-09 XBig12= 9.28D-10 4.79D-06.
     11 vectors produced by pass  8 Test12= 1.01D-13 8.33D-09 XBig12= 1.53D-11 7.48D-07.
      8 vectors produced by pass  9 Test12= 1.01D-13 8.33D-09 XBig12= 1.93D-13 5.37D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.13D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.875724D+02
      2  0.925635D-01  0.758931D+02
      3  0.362495D+00 -0.476325D+00  0.616205D+02
 Isotropic polarizability for W=    0.093368       75.03 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.340529D+02 -0.211325D+02 -0.565008D+00
      2  -0.181626D+02  0.198792D+02 -0.457308D+01
      3  -0.158904D+02  0.125324D+01  0.513809D+01
      4  -0.100677D+02  0.278092D+02  0.189213D+01
      5   0.403401D+01  0.140279D+00  0.471104D+02
      6  -0.120716D+01 -0.320669D+01  0.100622D+02
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.183511D+01 -0.810599D+00 -0.425232D+01
      2   0.713230D+00  0.323767D+00  0.213569D+02
      3   0.678511D+01 -0.140492D+02 -0.681461D+00
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.175185D+01  0.136639D+01 -0.880899D+01
      2  -0.459902D+01  0.309929D+01  0.630008D+02
      3   0.110647D+02 -0.459718D+02 -0.134743D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.616810D+00 -0.379736D+00 -0.351230D+00
      2  -0.379736D+00 -0.483462D+00  0.301709D+00
      3  -0.351230D+00  0.301709D+00 -0.109253D+01
 OR G Eigenvalues:    -1.2932    -0.9230     0.0235  Iso=     0.7309
 Eigenvectors:
   (1)   0.382968  -0.159428   0.909900
   (2)   0.687339   0.707261  -0.165372
   (3)  -0.617172   0.688742   0.380439
 w=    0.093368 a.u., Optical Rotation Beta=      0.7309 au.
 Molar Mass =     98.1444 grams/mole, [Alpha] ( 4880.0 A) =      419.78 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   31626 ScalPx= 7.76D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.30D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.68D-14 2.78D-09 XBig12= 1.00D+00 3.81D-01.
     30 vectors produced by pass  1 Test12= 1.68D-14 2.78D-09 XBig12= 1.60D-02 3.29D-02.
     30 vectors produced by pass  2 Test12= 1.68D-14 2.78D-09 XBig12= 9.40D-04 5.64D-03.
     30 vectors produced by pass  3 Test12= 1.68D-14 2.78D-09 XBig12= 1.46D-05 6.91D-04.
     30 vectors produced by pass  4 Test12= 1.68D-14 2.78D-09 XBig12= 2.62D-07 5.28D-05.
     30 vectors produced by pass  5 Test12= 1.68D-14 2.78D-09 XBig12= 2.92D-09 5.77D-06.
     30 vectors produced by pass  6 Test12= 1.68D-14 2.78D-09 XBig12= 2.50D-11 5.69D-07.
     28 vectors produced by pass  7 Test12= 1.68D-14 2.78D-09 XBig12= 1.67D-13 4.11D-08.
      1 vectors produced by pass  8 Test12= 1.68D-14 2.78D-09 XBig12= 1.16D-15 3.36D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   239 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.62D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   31626 ScalPx= 2.62D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   31626 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.34D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.875724D+02  0.925635D-01  0.362495D+00
      2   0.925635D-01  0.758931D+02 -0.476325D+00
      3   0.362495D+00 -0.476325D+00  0.616205D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.183511D+01 -0.810599D+00 -0.425232D+01
      2   0.713230D+00  0.323767D+00  0.213569D+02
      3   0.678511D+01 -0.140492D+02 -0.681461D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.340529D+02 -0.211325D+02 -0.565008D+00
      2  -0.181626D+02  0.198792D+02 -0.457308D+01
      3  -0.158904D+02  0.125324D+01  0.513809D+01
      4  -0.100677D+02  0.278092D+02  0.189213D+01
      5   0.403401D+01  0.140279D+00  0.471104D+02
      6  -0.120716D+01 -0.320669D+01  0.100622D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.283371D+01 -0.107173D+01  0.100770D+01 -0.548934D-01 -0.441072D+01
      2  -0.107173D+01 -0.346921D+01  0.857570D-01 -0.441072D+01 -0.442063D+00
      3   0.100770D+01  0.857570D-01 -0.175160D+01  0.231535D+00  0.239374D+01
                 6             7             8             9            10 
      1   0.231535D+00  0.168777D+01  0.485926D+00 -0.218530D+01 -0.132266D+01
      2   0.239374D+01  0.485926D+00  0.340913D+01 -0.100837D+01  0.254786D+01
      3  -0.459941D+00 -0.218530D+01 -0.100837D+01 -0.665311D+01 -0.128780D+01
                11            12            13            14            15 
      1   0.254786D+01 -0.128780D+01  0.221667D+01  0.306303D+01  0.321697D+00
      2   0.364411D+01  0.294710D+00  0.306303D+01 -0.297676D+01 -0.155749D+01
      3   0.294710D+00 -0.118340D-02  0.321697D+00 -0.155749D+01 -0.926022D+00
                16            17            18            19            20 
      1  -0.235845D+01  0.389126D+00  0.751704D+00 -0.169545D+01 -0.190122D+01
      2   0.389126D+00 -0.190596D+01 -0.967445D+00 -0.190122D+01  0.455351D+01
      3   0.751704D+00 -0.967445D+00  0.974383D+01 -0.113658D+01  0.554990D+00
                21            22            23            24            25 
      1  -0.113658D+01 -0.176769D+01  0.241511D+01  0.732156D+00 -0.131963D+01
      2   0.554990D+00  0.241511D+01  0.185179D+01 -0.735678D+00  0.161671D+01
      3   0.222987D+01  0.732156D+00 -0.735678D+00 -0.219853D+01  0.257200D+01
                26            27            28            29            30 
      1   0.161671D+01  0.257200D+01  0.485197D+01  0.529000D+01 -0.609899D-02
      2  -0.189354D+00 -0.325948D+01  0.529000D+01 -0.391774D+01 -0.248713D+00
      3  -0.325948D+01  0.355900D+01 -0.609899D-02 -0.248713D+00 -0.455901D+00
                31            32            33            34            35 
      1   0.354150D+01  0.135158D+00 -0.541941D+00  0.687971D+00 -0.869677D+00
      2   0.135158D+00 -0.334784D+01 -0.244130D+00 -0.869677D+00 -0.358639D+00
      3  -0.541941D+00 -0.244130D+00 -0.299516D-01 -0.447634D-01  0.114822D+00
                36            37            38            39            40 
      1  -0.447634D-01  0.274667D+00 -0.357148D+01  0.113875D+00 -0.240029D+01
      2   0.114822D+00 -0.357148D+01  0.140811D+01  0.559638D+00 -0.466927D+00
      3   0.129081D-01  0.113875D+00  0.559638D+00 -0.347173D+00  0.455286D+00
                41            42            43            44            45 
      1  -0.466927D+00  0.455286D+00 -0.989287D+00  0.133412D+01 -0.844711D+00
      2   0.523887D+01  0.168360D+01  0.133412D+01  0.246010D+01  0.342971D+01
      3   0.168360D+01  0.279075D+01 -0.844711D+00  0.342971D+01 -0.436318D+01
                46            47            48            49            50 
      1  -0.836664D+00  0.114713D+01 -0.129235D+01  0.784523D+00 -0.826220D+00
      2   0.114713D+01 -0.153377D+01  0.628103D+00 -0.826220D+00  0.203206D+01
      3  -0.129235D+01  0.628103D+00 -0.122329D+01  0.360895D+00 -0.156307D+01
                51            52            53            54            55 
      1   0.360895D+00 -0.229213D+01  0.657576D+00 -0.200191D+01 -0.380595D+01
      2  -0.156307D+01  0.657576D+00 -0.314582D+01  0.314528D+01  0.259176D+01
      3   0.180054D+01 -0.200191D+01  0.314528D+01 -0.631982D+01  0.167465D+01
                56            57            58            59            60 
      1   0.259176D+01  0.167465D+01  0.205802D+01 -0.210154D+01 -0.789005D+00
      2  -0.330389D+01 -0.105966D+01 -0.210154D+01  0.390346D+01  0.160578D+01
      3  -0.105966D+01 -0.148180D+01 -0.789005D+00  0.160578D+01  0.156035D+01
                61            62            63            64            65 
      1   0.278013D+01 -0.176668D+01 -0.187600D+01 -0.151968D+02 -0.455033D+01
      2  -0.176668D+01  0.277997D+01  0.244335D+01 -0.455033D+01 -0.128040D+01
      3  -0.187600D+01  0.244335D+01  0.214521D+01  0.389300D+00  0.248727D-01
                66            67            68            69            70 
      1   0.389300D+00 -0.348076D+01 -0.428260D+01  0.124034D+00  0.123781D-01
      2   0.248727D-01 -0.428260D+01 -0.266500D+01  0.117288D+00  0.254514D+00
      3  -0.157864D+01  0.124034D+00  0.117288D+00 -0.672928D+00 -0.373226D+01
                71            72            73            74            75 
      1   0.254514D+00 -0.373226D+01 -0.274317D+00 -0.829195D+00 -0.689612D+00
      2   0.162287D+00 -0.142325D+01 -0.829195D+00 -0.104571D+01 -0.291184D+00
      3  -0.142325D+01  0.299121D+00 -0.689612D+00 -0.291184D+00 -0.554524D-01
                76            77            78            79            80 
      1  -0.142554D+01 -0.877050D-01 -0.657049D-01 -0.902760D+00 -0.283535D+00
      2  -0.877050D-01 -0.765926D+01 -0.237995D+01 -0.283535D+00 -0.398512D+01
      3  -0.657049D-01 -0.237995D+01 -0.198422D+01  0.186269D+00 -0.261176D+01
                81            82            83            84            85 
      1   0.186269D+00  0.985292D+00 -0.105166D+00  0.104822D+01 -0.174436D+00
      2  -0.261176D+01 -0.105166D+00  0.112339D+00 -0.293256D+00  0.554897D+00
      3  -0.176497D+01  0.104822D+01 -0.293256D+00  0.850965D+00 -0.304210D+00
                86            87            88            89            90 
      1   0.554897D+00 -0.304210D+00  0.265118D+01 -0.562471D+00  0.837904D+00
      2  -0.239382D+01  0.146974D+01 -0.562471D+00  0.267791D+01 -0.302894D+01
      3   0.146974D+01 -0.159344D+01  0.837904D+00 -0.302894D+01  0.622961D+01
                91            92            93            94            95 
      1   0.253137D+01  0.247615D+01 -0.824819D+00  0.225507D+01  0.286233D+01
      2   0.247615D+01  0.332649D+01 -0.528346D+00  0.286233D+01  0.672213D+01
      3  -0.824819D+00 -0.528346D+00  0.895856D+00 -0.521300D+00 -0.151873D+01
                96            97            98            99           100 
      1  -0.521300D+00 -0.161225D+01 -0.107314D+01  0.110428D+01  0.464595D+00
      2  -0.151873D+01 -0.107314D+01 -0.281102D+01  0.161347D+01  0.323283D+00
      3   0.121485D+01  0.110428D+01  0.161347D+01 -0.563689D+00  0.118391D+01
               101           102           103           104           105 
      1   0.323283D+00  0.118391D+01  0.595747D-01  0.804249D+00  0.828832D-01
      2   0.686894D+00  0.377575D+00  0.804249D+00  0.689840D+00  0.797823D+00
      3   0.377575D+00  0.121975D+01  0.828832D-01  0.797823D+00  0.169108D+00
               106           107           108           109           110 
      1   0.213743D+01  0.116104D+00  0.165597D+01  0.108523D+01 -0.322235D+01
      2   0.116104D+00  0.156590D+01  0.187868D+01 -0.322235D+01 -0.357702D+01
      3   0.165597D+01  0.187868D+01  0.764531D+01  0.226794D+01 -0.168744D+00
               111           112           113           114           115 
      1   0.226794D+01 -0.334760D+01 -0.474332D+01 -0.154492D+00  0.288377D+01
      2  -0.168744D+00 -0.474332D+01  0.308813D+01  0.280545D+01 -0.373164D+00
      3  -0.445428D+00 -0.154492D+00  0.280545D+01  0.997962D+00 -0.139040D+01
               116           117           118           119           120 
      1  -0.373164D+00 -0.139040D+01  0.822379D+00 -0.301748D+00 -0.113557D+01
      2   0.279606D+01  0.116960D+01 -0.301748D+00 -0.242040D+00 -0.251712D-01
      3   0.116960D+01 -0.703431D+01 -0.113557D+01 -0.251712D-01  0.323413D+00
               121           122           123           124           125 
      1  -0.380451D+00 -0.254031D+00 -0.797214D-02 -0.171247D+01 -0.186145D-01
      2  -0.254031D+00  0.476060D+00 -0.868915D+00 -0.186145D-01 -0.122871D+01
      3  -0.797214D-02 -0.868915D+00  0.550163D+00  0.677655D+00  0.255059D+00
               126           127           128           129           130 
      1   0.677655D+00  0.878641D-01  0.199527D+00  0.688485D+00  0.166039D+00
      2   0.255059D+00  0.199527D+00  0.227459D+00 -0.352905D-02  0.774338D+00
      3  -0.965959D+01  0.688485D+00 -0.352905D-02  0.125725D+00 -0.942059D-01
               131           132           133           134           135 
      1   0.774338D+00 -0.942059D-01  0.254635D+01 -0.394239D+00  0.188949D+01
      2  -0.656505D+00  0.655891D+00 -0.394239D+00  0.121796D+01 -0.866688D+00
      3   0.655891D+00 -0.535313D+00  0.188949D+01 -0.866688D+00  0.779757D+01
               136           137           138           139           140 
      1   0.683052D+01  0.258874D+01 -0.114393D+01  0.518344D+01  0.296427D+01
      2   0.258874D+01  0.228685D+01 -0.449828D+00  0.296427D+01  0.271970D+01
      3  -0.114393D+01 -0.449828D+00  0.110433D+01 -0.559191D+00 -0.879725D+00
               141           142           143           144           145 
      1  -0.559191D+00 -0.224560D+01 -0.553845D+00  0.133240D+01  0.236419D+01
      2  -0.879725D+00 -0.553845D+00 -0.117157D+01  0.561751D+00 -0.161125D+01
      3   0.989891D+00  0.133240D+01  0.561751D+00 -0.342159D+00 -0.857301D+00
               146           147           148           149           150 
      1  -0.161125D+01 -0.857301D+00 -0.323318D+01  0.359968D+01  0.729535D+00
      2   0.212401D+01  0.542780D+00  0.359968D+01 -0.658079D+01 -0.178161D+01
      3   0.542780D+00  0.590550D+00  0.729535D+00 -0.178161D+01 -0.167326D+01
               151           152           153 
      1  -0.195440D+01  0.104130D+01  0.106767D+01
      2   0.104130D+01 -0.227313D+01 -0.144580D+01
      3   0.106767D+01 -0.144580D+01 -0.731751D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222315D+01 -0.107714D+01  0.196184D+01 -0.778262D-01 -0.587290D+01
      2   0.119212D+01  0.234131D+01  0.444929D+00  0.259436D+01  0.323312D+01
      3   0.107646D+02 -0.161509D+00  0.143859D+01  0.678036D+01 -0.551684D+01
                 6             7             8             9            10 
      1  -0.839645D+00  0.156965D+01  0.583736D+01  0.818306D+01  0.482355D+00
      2  -0.866823D+00 -0.602108D+01 -0.260695D+01 -0.386657D+01 -0.427434D+01
      3  -0.147243D+01  0.140335D+01 -0.260484D+01 -0.243036D+01 -0.596835D+01
                11            12            13            14            15 
      1  -0.580306D+00 -0.154527D+00 -0.198015D+01  0.750702D+00 -0.188853D+01
      2   0.139246D+01  0.216320D+01  0.506332D+00 -0.134162D+01 -0.839702D+00
      3  -0.907905D+01 -0.220798D+00 -0.242732D+01  0.375336D+01  0.288388D+01
                16            17            18            19            20 
      1   0.621664D+00  0.449498D+01  0.881434D+00  0.445810D+01 -0.226614D+01
      2  -0.557253D+01  0.551987D+00  0.101915D+02  0.236224D+01 -0.192334D+01
      3  -0.117388D+01  0.299106D+01  0.147832D+01 -0.115891D+02  0.320416D+01
                21            22            23            24            25 
      1  -0.450910D+01 -0.208115D+01  0.247703D+01 -0.132247D+01 -0.147455D+01
      2  -0.193236D+01 -0.231254D+01  0.160298D+01  0.413422D+01 -0.654927D+01
      3  -0.182641D+01  0.706089D+01  0.468117D+01  0.912829D+00 -0.181206D+01
                26            27            28            29            30 
      1   0.983109D+01 -0.531077D+01 -0.535181D+01 -0.178181D+00  0.170596D+01
      2   0.592726D+01 -0.453252D+01 -0.199109D+01 -0.144681D+01 -0.823633D+01
      3   0.235868D+01 -0.807914D+00  0.479935D+01 -0.411673D+01  0.215851D+00
                31            32            33            34            35 
      1  -0.193828D+01 -0.392582D+00  0.467361D+01 -0.482139D+01  0.229072D+02
      2  -0.585154D+00 -0.610691D+00 -0.171607D+01 -0.150236D+02  0.413620D+01
      3   0.236572D+01 -0.177853D+01 -0.270108D+00 -0.164093D+00 -0.853332D+00
                36            37            38            39            40 
      1  -0.592936D+00  0.105975D+01  0.197205D+01  0.117206D+01  0.230434D+01
      2   0.476092D+00 -0.720786D-01  0.194118D+00  0.392011D+01 -0.372106D+00
      3  -0.154501D+00 -0.308512D+01  0.290903D+01 -0.182635D+00  0.886345D+01
                41            42            43            44            45 
      1   0.681365D+01  0.169531D+01 -0.440497D+01  0.721146D+01 -0.614465D+01
      2   0.312926D+00 -0.217613D+01 -0.471639D+01 -0.787313D+00 -0.993332D-01
      3   0.546907D+01 -0.186231D+01  0.129079D+01 -0.320837D+01  0.193909D+01
                46            47            48            49            50 
      1   0.109795D+01 -0.242064D+01  0.284661D+01 -0.209112D+01  0.573317D+00
      2   0.155549D+01 -0.840636D+00  0.289613D+01 -0.449194D+00  0.172667D+01
      3   0.102353D+01 -0.131812D+01 -0.883928D+00  0.189273D+01  0.495198D+00
                51            52            53            54            55 
      1  -0.324791D+01  0.314706D+01 -0.497733D+01  0.106639D+02 -0.240631D+01
      2  -0.232956D+01  0.402973D+00 -0.510653D+01  0.873393D+01 -0.194957D+01
      3  -0.914514D+00 -0.315542D+01 -0.318437D+01  0.675053D+00 -0.263759D+01
                56            57            58            59            60 
      1   0.438951D+01  0.345392D+01  0.274140D+01 -0.302575D+01 -0.401132D+01
      2   0.256752D+01  0.372193D+01  0.117102D+01 -0.303838D+01 -0.295707D+01
      3  -0.263386D+01  0.104135D+01  0.297721D+01  0.113212D+01  0.287908D+00
                61            62            63            64            65 
      1   0.362419D+01 -0.386511D+01 -0.455094D+01  0.274349D+01 -0.357393D+00
      2   0.140696D+01 -0.401118D+01 -0.371400D+01  0.490599D+00  0.668945D-01
      3   0.300410D+01  0.184621D+01  0.104465D+00  0.194381D+01 -0.129432D+02
                66            67            68            69            70 
      1  -0.309583D+01  0.556251D+00  0.650024D+00 -0.380334D+01  0.182504D+01
      2   0.128409D+02  0.753807D+00  0.373211D+00  0.413758D+01  0.511695D+01
      3   0.286784D+00 -0.204107D+01 -0.712115D+01  0.338973D+00  0.107162D+01
                71            72            73            74            75 
      1  -0.516471D+01  0.614135D+00  0.793518D+00 -0.865125D+00 -0.421791D+00
      2  -0.511652D+00 -0.581300D+00  0.108857D+01 -0.454760D+00  0.581385D+00
      3   0.107279D+01 -0.852052D+00  0.570710D+00 -0.163738D+01  0.454559D+00
                76            77            78            79            80 
      1   0.144387D+01 -0.561995D+01 -0.566732D+01  0.661407D+00 -0.391435D+01
      2  -0.545076D-01 -0.692702D+00  0.255657D+00 -0.158930D+01 -0.160836D+00
      3   0.450479D+01 -0.350569D+00  0.122295D+00  0.255396D+01  0.243100D+00
                81            82            83            84            85 
      1  -0.390981D+01 -0.420443D+00  0.939649D-01  0.425647D+00 -0.678228D-01
      2   0.344149D-01 -0.225842D+01  0.125903D+00  0.650814D+00  0.192524D+00
      3  -0.406517D+00 -0.171104D+01 -0.177270D+01 -0.613662D+00  0.119222D+01
                86            87            88            89            90 
      1   0.211210D+01 -0.395259D+01  0.359722D+01 -0.422780D+01  0.106450D+02
      2  -0.755137D-01  0.325279D+00 -0.196323D+01 -0.412866D+00 -0.394038D+00
      3  -0.875865D+00  0.616263D+00 -0.420028D+01  0.110441D+01 -0.160754D+01
                91            92            93            94            95 
      1   0.128916D+01  0.898659D+00 -0.232307D+01  0.116052D+01  0.261128D+01
      2  -0.951826D+00 -0.118335D+01  0.193877D+01 -0.917083D+00 -0.229541D+01
      3   0.308265D+01 -0.509593D+00 -0.939855D+00  0.463899D+01 -0.104925D+01
                96            97            98            99           100 
      1  -0.409569D+01 -0.161356D+01 -0.126160D+01  0.156999D+01 -0.135710D+01
      2   0.209063D+01  0.118545D+00  0.184260D+01 -0.125940D+01 -0.425634D-01
      3   0.177695D+00 -0.275709D+01  0.132047D+01  0.625715D+00  0.238198D+00
               101           102           103           104           105 
      1   0.753116D+00 -0.185324D+01  0.111076D-01 -0.862350D+00 -0.148325D+01
      2  -0.135536D-03  0.158739D+01 -0.782921D-01 -0.200755D+00  0.741319D-03
      3  -0.156394D+01  0.147687D+01  0.242200D+00  0.102147D+01 -0.284793D+00
               106           107           108           109           110 
      1  -0.256894D+01  0.739078D+00 -0.112786D+02 -0.134537D+00 -0.125622D+01
      2  -0.261443D+01  0.129070D+01  0.475793D+01  0.910892D+01 -0.455409D+00
      3   0.369559D+01 -0.157267D+01  0.154959D+01  0.947981D+01  0.107429D+02
               111           112           113           114           115 
      1  -0.186689D+00 -0.154929D+01  0.243733D+01 -0.237229D+00 -0.186915D+01
      2  -0.579814D+00 -0.346652D+00  0.859246D+01  0.259785D+01 -0.773326D+01
      3  -0.855688D+00  0.202821D+02 -0.717390D+01 -0.808533D+01 -0.272310D+00
               116           117           118           119           120 
      1   0.285147D+01 -0.339136D+01  0.944592D-01  0.391139D+00  0.268620D+00
      2   0.359554D+01 -0.181480D+02 -0.558996D+00 -0.450915D+00  0.120307D+01
      3  -0.821473D+01 -0.258854D+01  0.943973D+00 -0.442901D+00  0.196371D+00
               121           122           123           124           125 
      1   0.623086D+00 -0.664638D+00 -0.380979D+00 -0.190003D+00  0.357880D+01
      2   0.186729D+00 -0.124921D+01  0.419232D+00 -0.372002D+01  0.437045D+00
      3   0.224975D+01 -0.947979D+00  0.134389D+01 -0.116281D+00  0.180933D+01
               126           127           128           129           130 
      1  -0.944061D+00  0.556425D+00  0.154799D-01  0.285353D+00  0.662699D-01
      2  -0.102738D+02  0.205466D+01 -0.227214D+00  0.191088D+01 -0.140334D+00
      3  -0.418908D+00 -0.451359D+00 -0.152496D+01 -0.255124D+00 -0.953587D+00
               131           132           133           134           135 
      1  -0.134554D-01 -0.109253D+01  0.789568D+00  0.294162D+01  0.417935D+01
      2   0.136868D+01 -0.167620D+01  0.875791D+00 -0.215127D+01  0.216891D+02
      3   0.123727D+01 -0.140625D+01 -0.543746D+00 -0.359280D+01  0.155952D+01
               136           137           138           139           140 
      1   0.721754D-01 -0.401855D-01 -0.608775D+00 -0.627127D-02 -0.432472D+00
      2  -0.327539D+01 -0.158826D+01  0.505913D+01 -0.162376D+01 -0.272610D+01
      3  -0.102006D+02 -0.104506D+02  0.197581D+01 -0.846993D+01 -0.103944D+02
               141           142           143           144           145 
      1  -0.133120D+01  0.409923D+00  0.109815D+01  0.194002D+00 -0.754033D+00
      2   0.428331D+01  0.250000D+01  0.163310D+01 -0.112218D+01 -0.229784D+01
      3   0.296431D+01  0.214489D+01  0.413369D+01 -0.192165D+01  0.275126D+01
               146           147           148           149           150 
      1   0.527425D+00  0.103301D+01  0.704572D+00 -0.130287D+01 -0.382668D+01
      2   0.164417D+01  0.264165D+01  0.147484D+01 -0.497966D+01 -0.568293D+01
      3  -0.665199D+01 -0.106991D+01 -0.536796D+01  0.174639D+02  0.482921D+01
               151           152           153 
      1   0.742119D+00 -0.129834D+00 -0.104587D+01
      2   0.129143D+01 -0.371089D+01 -0.207323D+01
      3  -0.969132D+00  0.635137D+01  0.325623D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.235907D+01  0.684511D+01  0.214147D+01  0.424448D+01 -0.434771D+01
      2  -0.204310D+01 -0.135607D+02  0.177844D+01 -0.117016D+02 -0.429393D+01
      3  -0.315974D+00  0.671559D+01 -0.391992D+01  0.745709D+01  0.864164D+01
      4   0.132645D+01 -0.106786D+02  0.215485D+01 -0.104528D+02 -0.114048D+02
      5   0.281966D+01  0.335685D+01 -0.291169D+01  0.302954D+01  0.436356D+01
      6   0.388462D+01  0.194070D+01 -0.510176D+01  0.292640D+01  0.116487D+02
                 6             7             8             9            10 
      1  -0.325521D+01  0.286715D+01 -0.320484D+01  0.610782D+01 -0.139100D+02
      2   0.867840D+01  0.352035D+01  0.112188D+02  0.250395D+01  0.468245D+01
      3  -0.542319D+01 -0.638750D+01 -0.801392D+01 -0.861177D+01  0.922758D+01
      4   0.466856D+01  0.236079D+01  0.800204D+01 -0.966264D+01  0.713473D+01
      5  -0.193892D+01 -0.308384D+01 -0.487658D+01 -0.103791D+02 -0.766875D+01
      6  -0.128074D+01 -0.692093D+01 -0.414352D+01 -0.155594D+02 -0.564917D-01
                11            12            13            14            15 
      1   0.614494D+01 -0.443819D+01  0.962498D+01  0.114008D+02  0.187186D+01
      2  -0.730401D+00  0.250744D+01 -0.376264D+01 -0.616941D+01 -0.226960D+01
      3  -0.541454D+01  0.193075D+01 -0.586234D+01 -0.523138D+01  0.397733D+00
      4   0.117065D+01  0.160440D+01  0.783084D+01 -0.490100D+01 -0.200099D+01
      5   0.199819D+01 -0.185724D+01  0.114694D+01 -0.249240D+01 -0.143554D+01
      6  -0.243896D+00  0.950372D+00 -0.125573D+01 -0.761658D+00  0.833109D+00
                16            17            18            19            20 
      1  -0.978306D+01  0.253763D+01  0.856697D+01  0.386537D+00 -0.461153D+01
      2   0.309539D+01 -0.326361D+01  0.921977D+01 -0.189185D+01  0.876779D+01
      3   0.668767D+01  0.725978D+00 -0.177867D+02  0.150531D+01 -0.415627D+01
      4   0.101166D+01 -0.312341D+01 -0.135271D+01  0.346488D+01 -0.142875D+02
      5   0.341336D+01 -0.135702D+01  0.229388D+02  0.314856D+01 -0.505756D+01
      6  -0.246939D+00  0.456211D+01 -0.497700D+00 -0.518445D+01  0.347025D+01
                21            22            23            24            25 
      1   0.228367D+01  0.390653D+01 -0.628353D+01 -0.111005D+01  0.320055D+00
      2   0.238228D+01  0.386216D+00  0.119348D+02 -0.286681D+01  0.321281D+01
      3  -0.466595D+01 -0.429274D+01 -0.565127D+01  0.397686D+01 -0.353286D+01
      4  -0.393893D+01 -0.203814D+01  0.818229D+01  0.193396D+01 -0.645860D+01
      5  -0.711160D+01 -0.455677D+01  0.244801D+01  0.787806D+01 -0.744843D+01
      6   0.815212D+01  0.400658D+01 -0.433696D+01 -0.499408D+01  0.911791D+01
                26            27            28            29            30 
      1  -0.528525D+01  0.767110D+01 -0.434955D+02 -0.876900D+01 -0.107177D+00
      2  -0.313215D+01 -0.418955D+01  0.232560D+02  0.156964D+00 -0.166735D+00
      3   0.841740D+01 -0.348155D+01  0.202396D+02  0.861203D+01  0.273912D+00
      4  -0.152280D+00  0.170109D+02 -0.248148D+02 -0.141240D+02  0.114967D+01
      5   0.123206D+02 -0.707646D+01  0.201482D+01  0.136234D+01 -0.115224D+02
      6  -0.156389D+02  0.121987D+02 -0.130949D+01 -0.641255D+00 -0.354772D+01
                31            32            33            34            35 
      1  -0.182605D+02 -0.477404D+00 -0.182627D-01  0.771238D+00  0.580390D+00
      2   0.116726D+02 -0.495043D+01 -0.522835D+00 -0.100780D+01  0.820445D+00
      3   0.658786D+01  0.542783D+01  0.541098D+00  0.236567D+00 -0.140083D+01
      4  -0.704256D+01 -0.257698D+00  0.174809D+00  0.202532D+01  0.943646D+00
      5   0.196460D+01 -0.129934D+00 -0.300528D+01  0.297669D+01 -0.137816D+01
      6  -0.151965D+01  0.199555D+01 -0.368224D+01 -0.121663D+01  0.498183D+01
                36            37            38            39            40 
      1  -0.100749D+02  0.176629D+01 -0.389908D+00  0.257081D+01 -0.111435D+02
      2  -0.157766D+01  0.301866D+01 -0.249458D+01 -0.251286D+01  0.573006D+01
      3   0.116526D+02 -0.478495D+01  0.288449D+01 -0.579572D-01  0.541342D+01
      4  -0.377917D+01 -0.171510D+00  0.509607D+01 -0.411241D+00 -0.935387D+00
      5   0.164225D+01  0.363512D+00 -0.737404D+00  0.223512D+01 -0.292559D+00
      6  -0.687844D+00  0.166028D+01 -0.283271D+01  0.311432D+00 -0.151290D+01
                41            42            43            44            45 
      1   0.886999D+01  0.111668D+01  0.969286D+01 -0.907426D+00  0.142759D+02
      2  -0.104646D+02 -0.620992D+01 -0.499491D+01 -0.555034D+01 -0.877931D+01
      3   0.159462D+01  0.509323D+01 -0.469795D+01  0.645777D+01 -0.549654D+01
      4  -0.551117D+01 -0.134049D+01  0.232739D+01 -0.183510D+01  0.353613D+01
      5  -0.134506D+01 -0.184119D+01 -0.264006D+01  0.152411D+01 -0.386938D+01
      6  -0.114067D+02 -0.862645D+01  0.553864D+01 -0.153462D+02  0.110010D+02
                46            47            48            49            50 
      1   0.953173D+00  0.282993D+00  0.128124D+01  0.994968D+00 -0.711269D+01
      2  -0.114154D+01 -0.172162D+01 -0.180202D+01 -0.227265D+01  0.753793D+01
      3   0.188363D+00  0.143862D+01  0.520782D+00  0.127768D+01 -0.425237D+00
      4  -0.606465D+01  0.926891D+01 -0.526313D+01  0.518531D+01 -0.791245D+01
      5   0.570107D+01 -0.313947D+01  0.814183D+01 -0.111220D+01  0.402916D+01
      6  -0.458953D+01  0.316788D+01 -0.447074D+01  0.298299D+01 -0.764153D+01
                51            52            53            54            55 
      1   0.496267D+01  0.235473D+01  0.950041D+01 -0.124200D+02  0.810333D+01
      2  -0.419123D+01 -0.331157D+01 -0.583122D+01 -0.206313D+01  0.732152D-01
      3  -0.771440D+00  0.956842D+00 -0.366919D+01  0.144831D+02 -0.817654D+01
      4   0.505369D+01 -0.749592D+01  0.103669D+02 -0.129475D+02 -0.171221D+02
      5  -0.427495D+01  0.919686D+01 -0.944486D+01  0.173358D+02 -0.862319D+01
      6   0.100620D+02 -0.720596D+01  0.164965D+02 -0.229215D+02  0.682078D+01
                56            57            58            59            60 
      1  -0.478473D+00 -0.223570D+01  0.749075D+00 -0.726311D+01 -0.226837D+01
      2  -0.636234D+01 -0.204399D+00 -0.613764D+01  0.147668D+02  0.499795D+01
      3   0.684082D+01  0.244010D+01  0.538856D+01 -0.750374D+01 -0.272957D+01
      4   0.191582D+02  0.756843D+01  0.128517D+02 -0.171984D+02 -0.671082D+01
      5   0.583942D+01  0.809484D+01  0.419118D+01 -0.648530D+01 -0.554968D+01
      6  -0.618696D+01 -0.615310D+01 -0.506921D+01  0.912179D+01  0.867185D+01
                61            62            63            64            65 
      1  -0.282714D+01 -0.361618D+01 -0.425399D+01  0.883652D+02  0.168361D+02
      2   0.593449D-01  0.723664D+01  0.207753D+01 -0.476701D+02 -0.461551D+01
      3   0.276779D+01 -0.362046D+01  0.217646D+01 -0.406951D+02 -0.122206D+02
      4   0.111304D+02 -0.115374D+02 -0.109191D+02  0.378118D+02  0.272629D+02
      5   0.911194D+01 -0.902929D+01 -0.898030D+01 -0.327868D+01 -0.114827D+01
      6  -0.765474D+01  0.127784D+02  0.970184D+01  0.150328D+01  0.472611D+00
                66            67            68            69            70 
      1  -0.137222D+01  0.175043D+02  0.108594D+02  0.130218D+00 -0.194693D+01
      2   0.124568D+01 -0.572460D+01  0.110816D+01 -0.227022D+00  0.204384D+01
      3   0.126546D+00 -0.117797D+02 -0.119676D+02  0.968045D-01 -0.969118D-01
      4  -0.603936D+00  0.294094D+02  0.203909D+02 -0.325013D+00 -0.663250D+00
      5   0.217221D+02 -0.104459D+01 -0.650740D+00  0.674951D+01  0.250650D+02
      6   0.544413D+01  0.588890D+00 -0.862601D+00  0.641574D+01  0.576127D+01
                71            72            73            74            75 
      1   0.116768D+00  0.128320D+02  0.349716D+00 -0.183015D+01 -0.727637D+00
      2  -0.805033D-01 -0.103597D+02  0.132644D+01  0.321013D+01  0.660004D+00
      3  -0.362648D-01 -0.247228D+01 -0.167616D+01 -0.137999D+01  0.676327D-01
      4  -0.291857D+00  0.897144D+01  0.169145D+01  0.862957D+01  0.250567D+01
      5   0.745919D+01 -0.234597D+01  0.684197D+00  0.161903D+01  0.250056D+01
      6   0.717748D+01 -0.127159D+00  0.250038D+01  0.139171D+01  0.485444D+00
                76            77            78            79            80 
      1   0.194769D+01 -0.238542D+02 -0.737776D+01 -0.101219D+01 -0.104443D+02
      2  -0.851084D+00  0.342150D+02  0.939760D+01  0.633736D+00  0.121780D+02
      3  -0.109661D+01 -0.103609D+02 -0.201984D+01  0.378450D+00 -0.173367D+01
      4   0.591166D+01  0.183012D+01  0.868727D+00  0.363510D+01  0.123351D+01
      5   0.132586D+01  0.127394D+01  0.757475D+00  0.221669D+01  0.768969D+00
      6   0.198745D+00  0.156134D+02  0.113884D+02 -0.939461D+00  0.145420D+02
                81            82            83            84            85 
      1  -0.989609D+01 -0.233751D+00 -0.759339D-01 -0.858679D+00  0.233098D+01
      2   0.654787D+01 -0.144594D+01 -0.287162D+00  0.242242D+00 -0.235630D+01
      3   0.334822D+01  0.167969D+01  0.363096D+00  0.616437D+00  0.253233D-01
      4   0.970986D-01 -0.271856D+01  0.352753D+01 -0.343874D+01  0.231706D+01
      5   0.110708D+01  0.767424D+00 -0.199575D+01  0.457280D+01 -0.786420D+00
      6   0.991244D+01 -0.323127D+01  0.969295D+00 -0.172914D+01  0.109225D+01
                86            87            88            89            90 
      1  -0.102048D+02  0.546653D+01 -0.301762D+01  0.109176D+02 -0.180955D+02
      2   0.973227D+01 -0.388932D+01  0.390541D+00 -0.638863D+01  0.140081D+01
      3   0.472570D+00 -0.157721D+01  0.262708D+01 -0.452897D+01  0.166947D+02
      4  -0.169100D+01  0.930343D+00 -0.556040D+01  0.125466D+01 -0.231127D+01
      5   0.973965D+00 -0.330556D-01  0.441583D+01 -0.129095D+01  0.198000D+01
      6  -0.673001D+01  0.955803D+01 -0.425530D+01  0.147560D+02 -0.206364D+02
                91            92            93            94            95 
      1   0.156282D+01 -0.306053D+01 -0.412664D+00 -0.290595D+01 -0.150664D+02
      2   0.581019D+01  0.113183D+02 -0.156293D+01  0.103984D+02  0.321040D+02
      3  -0.737301D+01 -0.825774D+01  0.197559D+01 -0.749243D+01 -0.170375D+02
      4   0.129324D+02  0.166193D+02 -0.388435D+01  0.153990D+02  0.214884D+02
      5  -0.336559D+01 -0.233438D+01  0.357914D+01 -0.214474D+01 -0.394229D+01
      6  -0.390259D+01 -0.342822D+01  0.391611D+01 -0.323108D+01 -0.894165D+01
                96            97            98            99           100 
      1   0.315346D+01 -0.598291D+00  0.581699D+01 -0.434010D+01  0.527089D+00
      2  -0.646253D+01 -0.207786D+01 -0.103996D+02  0.360766D+01 -0.247521D+01
      3   0.330907D+01  0.267615D+01  0.458262D+01  0.732441D+00  0.194812D+01
      4  -0.479017D+01 -0.666139D+01 -0.849915D+01  0.596541D+01  0.251684D+01
      5   0.300375D+01  0.403818D+01  0.422156D+01 -0.271396D+01  0.401348D+01
      6   0.749752D+01  0.512536D+01  0.940909D+01 -0.505558D+01  0.305360D+01
               101           102           103           104           105 
      1  -0.952663D+00  0.384676D+00 -0.188180D+01 -0.309797D+01 -0.270114D+01
      2   0.213439D+01 -0.229734D+01  0.297826D+01  0.268389D+01  0.230179D+01
      3  -0.118173D+01  0.191266D+01 -0.109647D+01  0.414077D+00  0.399348D+00
      4   0.459101D+01  0.328901D+01  0.298726D+01  0.301540D+01  0.141862D+01
      5   0.119785D+01  0.754614D+01 -0.319497D+00  0.118832D+01 -0.351073D-01
      6   0.145359D+01  0.313301D+01  0.883908D+00  0.282294D+01  0.611399D+01
               106           107           108           109           110 
      1   0.543484D+00 -0.583136D+01 -0.148055D+02  0.362869D+01 -0.202976D+02
      2  -0.348712D+01  0.327286D+01 -0.776190D+01 -0.316644D+01  0.139433D+02
      3   0.294363D+01  0.255850D+01  0.225674D+02 -0.462249D+00  0.635430D+01
      4   0.519849D+01  0.381828D+01  0.727129D+01 -0.206552D+02 -0.198351D+02
      5   0.708901D+01  0.356883D+01  0.127322D+02  0.167897D+02 -0.120670D+01
      6   0.552598D+01  0.978955D+01  0.221504D+02 -0.220505D+01  0.268613D+01
               111           112           113           114           115 
      1   0.121072D+02 -0.258157D+02 -0.194959D+02  0.208457D+01  0.162421D+02
      2  -0.480834D+01  0.184463D+02  0.290155D+01 -0.513920D+01 -0.401062D+01
      3  -0.729886D+01  0.736941D+01  0.165943D+02  0.305463D+01 -0.122315D+02
      4  -0.135512D+01 -0.284545D+02  0.173296D+02  0.157784D+02 -0.183245D+01
      5  -0.290990D+01 -0.111462D+01  0.169500D+02  0.479291D+01 -0.680859D+01
      6   0.510462D+00  0.366072D+01 -0.519156D+01 -0.215249D+01  0.180160D+01
               116           117           118           119           120 
      1   0.120495D+01  0.197161D+01  0.366778D+01 -0.110498D+01 -0.264043D+01
      2  -0.509697D+01  0.502048D+01 -0.532436D+01  0.435684D+00  0.134837D+01
      3   0.389202D+01 -0.699209D+01  0.165658D+01  0.669296D+00  0.129206D+01
      4   0.158806D+02  0.537201D+01 -0.103684D+01  0.182826D+01 -0.137453D+00
      5   0.575104D+01 -0.327150D+02 -0.243888D+01 -0.485006D+00  0.794975D+01
      6  -0.299998D+01  0.702054D+01 -0.205802D+00 -0.182184D+00 -0.200579D-01
               121           122           123           124           125 
      1  -0.532941D+00 -0.490506D+01  0.849280D+00 -0.393946D+01  0.128543D+01
      2  -0.261980D-01  0.868310D+00  0.668499D+00  0.450352D+01 -0.899207D-01
      3   0.559139D+00  0.403675D+01 -0.151778D+01 -0.564063D+00 -0.119551D+01
      4   0.160022D+01  0.106288D+01 -0.189478D+01  0.885903D+00 -0.215967D+01
      5  -0.565268D+00 -0.242698D+01  0.123830D+01  0.668130D+01  0.621749D+00
      6  -0.346668D+00 -0.425789D+00  0.760168D+01 -0.777018D-01  0.433378D+01
               126           127           128           129           130 
      1  -0.192265D+02  0.218986D+01  0.127300D+01  0.444019D+01  0.184730D+01
      2  -0.177846D+02 -0.299968D+01 -0.814121D+00 -0.289642D+01 -0.159470D+01
      3   0.370111D+02  0.809818D+00 -0.458879D+00 -0.154377D+01 -0.252603D+00
      4   0.129479D+01  0.104492D+01  0.303076D+01 -0.123192D+01  0.581156D+01
      5  -0.216715D+02  0.355734D+01 -0.648515D+00  0.684012D+01 -0.685465D+00
      6  -0.950933D-02 -0.100106D+01 -0.597043D+00 -0.588198D+00  0.663977D+00
               131           132           133           134           135 
      1   0.893910D+00  0.541253D+00  0.113000D+02  0.251157D+00 -0.526311D+01
      2  -0.764189D-01 -0.701547D-01 -0.922577D+01  0.208686D-01 -0.132075D+02
      3  -0.817491D+00 -0.471098D+00 -0.207419D+01 -0.272026D+00  0.184706D+02
      4  -0.360214D+01  0.281117D+01 -0.370070D+01  0.637045D+01 -0.415844D+01
      5   0.262843D+01 -0.317584D+01  0.147087D+02 -0.453885D+01  0.410350D+02
      6  -0.111895D+01  0.538848D+01 -0.224492D+01  0.598398D+01 -0.938821D+01
               136           137           138           139           140 
      1   0.466882D+02  0.178354D+02 -0.753188D+01  0.305560D+02  0.145442D+02
      2  -0.245011D+02 -0.969116D+01  0.431451D+01 -0.155844D+02 -0.421071D+01
      3  -0.221871D+02 -0.814421D+01  0.321737D+01 -0.149717D+02 -0.103334D+02
      4   0.171193D+02  0.170027D+02 -0.298651D+01  0.210692D+02  0.184767D+02
      5  -0.847885D+01 -0.325012D+01  0.927619D+01 -0.463801D+01 -0.559497D+01
      6  -0.235694D+00 -0.834620D-02  0.224028D+00 -0.713304D+00 -0.396507D+00
               141           142           143           144           145 
      1  -0.359222D+01 -0.125948D+02 -0.312339D+01  0.538304D+01  0.138548D+02
      2   0.244656D+01  0.720890D+01  0.253072D+01 -0.500172D+01 -0.388925D+01
      3   0.114566D+01  0.538586D+01  0.592666D+00 -0.381322D+00 -0.996557D+01
      4  -0.556702D+01 -0.394692D+01 -0.709298D+01  0.377084D+01 -0.123666D+02
      5   0.754297D+01  0.107424D+02  0.435799D+01 -0.370758D+01 -0.564338D+01
      6   0.217709D+01  0.117161D+01  0.264858D+01 -0.189699D+01  0.249850D+01
               146           147           148           149           150 
      1  -0.752335D+01 -0.440136D+01 -0.132277D+02  0.494506D+01  0.464041D+00
      2   0.249352D+00  0.153040D+01  0.523258D+00  0.135036D+02  0.272271D+01
      3   0.727400D+01  0.287095D+01  0.127044D+02 -0.184487D+02 -0.318675D+01
      4   0.176324D+02  0.450299D+01  0.261226D+02 -0.392050D+02 -0.106465D+02
      5   0.415317D+01  0.547483D+01  0.560201D+01 -0.107877D+02 -0.106734D+02
      6  -0.143156D+01 -0.151640D+01 -0.299341D+01  0.613513D+01  0.664870D+01
               151           152           153 
      1  -0.861376D+01  0.518976D+00  0.487016D+00
      2   0.320555D+01  0.287224D+01 -0.733363D+00
      3   0.540821D+01 -0.339121D+01  0.246347D+00
      4   0.774461D+01 -0.131783D+02 -0.815900D+01
      5   0.789738D+01 -0.858574D+01 -0.494940D+01
      6  -0.318723D+01  0.656240D+01  0.431906D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 22:11:56 2021, MaxMem= 10737418240 cpu:           10864.9 elap:             679.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26039 -10.38667 -10.31162 -10.30356 -10.30292
 Alpha  occ. eigenvalues --  -10.30158 -10.29412  -1.15134  -0.95549  -0.85384
 Alpha  occ. eigenvalues --   -0.81727  -0.75308  -0.67332  -0.62880  -0.58992
 Alpha  occ. eigenvalues --   -0.55675  -0.53109  -0.52052  -0.50449  -0.49870
 Alpha  occ. eigenvalues --   -0.47160  -0.46367  -0.43699  -0.42458  -0.41818
 Alpha  occ. eigenvalues --   -0.41170  -0.32590
 Alpha virt. eigenvalues --    0.03297   0.04088   0.04472   0.04940   0.05414
 Alpha virt. eigenvalues --    0.06685   0.06785   0.06939   0.07661   0.07703
 Alpha virt. eigenvalues --    0.09522   0.11103   0.11933   0.13608   0.13696
 Alpha virt. eigenvalues --    0.14376   0.14588   0.14704   0.14882   0.15244
 Alpha virt. eigenvalues --    0.15407   0.16372   0.17009   0.17807   0.18309
 Alpha virt. eigenvalues --    0.18805   0.19099   0.19637   0.19975   0.20394
 Alpha virt. eigenvalues --    0.20795   0.22510   0.23135   0.24345   0.24735
 Alpha virt. eigenvalues --    0.25560   0.26366   0.27922   0.28230   0.29161
 Alpha virt. eigenvalues --    0.30022   0.31367   0.31835   0.32691   0.33470
 Alpha virt. eigenvalues --    0.34057   0.34427   0.35399   0.35914   0.36683
 Alpha virt. eigenvalues --    0.37994   0.38446   0.40226   0.40440   0.41434
 Alpha virt. eigenvalues --    0.41722   0.42185   0.42655   0.43291   0.43959
 Alpha virt. eigenvalues --    0.44674   0.45123   0.46039   0.46849   0.47243
 Alpha virt. eigenvalues --    0.47901   0.49392   0.50192   0.50847   0.51826
 Alpha virt. eigenvalues --    0.53056   0.53235   0.54782   0.56362   0.57043
 Alpha virt. eigenvalues --    0.57777   0.57884   0.59396   0.59631   0.60043
 Alpha virt. eigenvalues --    0.61263   0.62549   0.62765   0.64120   0.65167
 Alpha virt. eigenvalues --    0.66352   0.67606   0.68468   0.69452   0.70163
 Alpha virt. eigenvalues --    0.71008   0.72053   0.72416   0.73625   0.73773
 Alpha virt. eigenvalues --    0.74962   0.75671   0.76799   0.77609   0.78352
 Alpha virt. eigenvalues --    0.78929   0.79117   0.81853   0.82281   0.83136
 Alpha virt. eigenvalues --    0.83428   0.84857   0.85339   0.86021   0.87923
 Alpha virt. eigenvalues --    0.89551   0.91806   0.92805   0.93257   0.94128
 Alpha virt. eigenvalues --    0.95777   0.98314   1.00180   1.00826   1.01407
 Alpha virt. eigenvalues --    1.05147   1.06383   1.09569   1.12663   1.14888
 Alpha virt. eigenvalues --    1.15178   1.16978   1.18131   1.19680   1.22179
 Alpha virt. eigenvalues --    1.23680   1.24575   1.27289   1.28607   1.30575
 Alpha virt. eigenvalues --    1.31661   1.33502   1.35343   1.37074   1.41810
 Alpha virt. eigenvalues --    1.45664   1.48071   1.48788   1.52317   1.53177
 Alpha virt. eigenvalues --    1.55746   1.56873   1.60661   1.62249   1.65097
 Alpha virt. eigenvalues --    1.65892   1.66655   1.67492   1.68932   1.72178
 Alpha virt. eigenvalues --    1.73033   1.73966   1.77043   1.78387   1.80465
 Alpha virt. eigenvalues --    1.82943   1.85203   1.85884   1.86505   1.89279
 Alpha virt. eigenvalues --    1.90594   1.91803   1.93293   1.93870   1.95636
 Alpha virt. eigenvalues --    1.97336   1.99430   2.02450   2.03548   2.08091
 Alpha virt. eigenvalues --    2.08307   2.09486   2.12174   2.13596   2.14113
 Alpha virt. eigenvalues --    2.15655   2.17804   2.20534   2.22307   2.25746
 Alpha virt. eigenvalues --    2.26246   2.28985   2.29522   2.31363   2.34694
 Alpha virt. eigenvalues --    2.37421   2.37963   2.42102   2.43684   2.48735
 Alpha virt. eigenvalues --    2.49868   2.51911   2.53722   2.55877   2.58146
 Alpha virt. eigenvalues --    2.61256   2.64141   2.65738   2.66912   2.68582
 Alpha virt. eigenvalues --    2.69945   2.74924   2.80792   2.82850   2.90730
 Alpha virt. eigenvalues --    2.91341   2.92623   2.99288   3.03989   3.08107
 Alpha virt. eigenvalues --    3.09855   3.16985   3.43436   3.51423   3.52364
 Alpha virt. eigenvalues --    3.56848   3.67977   3.81487   3.93368
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.743507  -0.378833   0.220247  -0.035867  -0.462788   0.130211
     2  C   -0.378833   7.241288  -0.138350  -0.007544  -0.007337  -0.040365
     3  C    0.220247  -0.138350   5.349545  -0.005817  -0.142157   0.050203
     4  C   -0.035867  -0.007544  -0.005817   6.078798  -0.259413  -0.026252
     5  C   -0.462788  -0.007337  -0.142157  -0.259413   5.974216  -0.013285
     6  H    0.130211  -0.040365   0.050203  -0.026252  -0.013285   1.352850
     7  H    0.029553   0.008741  -0.050364   0.034471   0.076035  -0.230664
     8  O   -0.015812  -0.021199  -0.034558   0.242258  -0.011481   0.005590
     9  H    0.097100   0.106310   0.026792   0.006041  -0.246561  -0.001169
    10  H   -0.093700   0.010704   0.050283  -0.075972   0.184545  -0.004924
    11  H   -0.457886   0.268582   0.151741  -0.035940   0.109532  -0.186105
    12  H    0.023492  -0.079119  -0.029524  -0.028914  -0.025827   0.109219
    13  C   -0.078081   0.248787   0.016393  -0.010693  -0.172703   0.014971
    14  H    0.209365  -1.065252   0.003187  -0.076996   0.250025   0.036771
    15  H   -0.014734  -0.323967   0.000986   0.015937  -0.004781   0.002450
    16  H    0.009001   0.210162   0.013082  -0.008764  -0.037884  -0.000157
    17  H   -0.025245   0.254435  -0.013238   0.024377  -0.039163  -0.001052
               7          8          9         10         11         12
     1  C    0.029553  -0.015812   0.097100  -0.093700  -0.457886   0.023492
     2  C    0.008741  -0.021199   0.106310   0.010704   0.268582  -0.079119
     3  C   -0.050364  -0.034558   0.026792   0.050283   0.151741  -0.029524
     4  C    0.034471   0.242258   0.006041  -0.075972  -0.035940  -0.028914
     5  C    0.076035  -0.011481  -0.246561   0.184545   0.109532  -0.025827
     6  H   -0.230664   0.005590  -0.001169  -0.004924  -0.186105   0.109219
     7  H    1.504294  -0.000203   0.002220   0.001733   0.019970  -0.158372
     8  O   -0.000203   8.393766  -0.011993   0.013230   0.003914  -0.000620
     9  H    0.002220  -0.011993   1.677852  -0.240270   0.002402   0.004813
    10  H    0.001733   0.013230  -0.240270   1.381788   0.008614   0.025858
    11  H    0.019970   0.003914   0.002402   0.008614   1.987404  -0.380061
    12  H   -0.158372  -0.000620   0.004813   0.025858  -0.380061   1.982525
    13  C   -0.000733   0.002370   0.043147  -0.135560   0.004708  -0.135444
    14  H   -0.004911   0.004949  -0.150063   0.093650  -0.132823   0.103603
    15  H   -0.002782  -0.000107  -0.004567   0.002123  -0.001003   0.002424
    16  H    0.000611  -0.000059   0.005042  -0.002876  -0.008573  -0.025656
    17  H    0.000942  -0.000851  -0.004629  -0.022022   0.002233   0.000825
              13         14         15         16         17
     1  C   -0.078081   0.209365  -0.014734   0.009001  -0.025245
     2  C    0.248787  -1.065252  -0.323967   0.210162   0.254435
     3  C    0.016393   0.003187   0.000986   0.013082  -0.013238
     4  C   -0.010693  -0.076996   0.015937  -0.008764   0.024377
     5  C   -0.172703   0.250025  -0.004781  -0.037884  -0.039163
     6  H    0.014971   0.036771   0.002450  -0.000157  -0.001052
     7  H   -0.000733  -0.004911  -0.002782   0.000611   0.000942
     8  O    0.002370   0.004949  -0.000107  -0.000059  -0.000851
     9  H    0.043147  -0.150063  -0.004567   0.005042  -0.004629
    10  H   -0.135560   0.093650   0.002123  -0.002876  -0.022022
    11  H    0.004708  -0.132823  -0.001003  -0.008573   0.002233
    12  H   -0.135444   0.103603   0.002424  -0.025656   0.000825
    13  C    4.712827  -0.123930   0.518088   0.109010   0.088714
    14  H   -0.123930   2.414112   0.074627  -0.063009  -0.044312
    15  H    0.518088   0.074627   1.503658  -0.293692  -0.304901
    16  H    0.109010  -0.063009  -0.293692   1.569981  -0.337278
    17  H    0.088714  -0.044312  -0.304901  -0.337278   1.572262
 Mulliken charges:
               1
     1  C    1.100469
     2  C   -0.287045
     3  C    0.531550
     4  C    0.170292
     5  C    0.829026
     6  H   -0.198294
     7  H   -0.230541
     8  O   -0.569194
     9  H   -0.312467
    10  H   -0.197205
    11  H   -0.356709
    12  H   -0.389223
    13  C    0.898129
    14  H   -0.528992
    15  H   -0.169760
    16  H   -0.138940
    17  H   -0.151096
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.354537
     2  C   -0.816037
     3  C    0.102715
     4  C    0.170292
     5  C    0.319354
     8  O   -0.569194
    13  C    0.438333
 Electronic spatial extent (au):  <R**2>=            818.2423
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1171    Y=              1.1894    Z=             -0.2042  Tot=              3.3426
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.3204   YY=            -42.8566   ZZ=            -41.8044
   XY=             -3.7755   XZ=              0.0905   YZ=              0.0121
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.3266   YY=              3.1372   ZZ=              4.1894
   XY=             -3.7755   XZ=              0.0905   YZ=              0.0121
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             21.1607  YYY=             -1.2779  ZZZ=              0.4209  XYY=             -0.1751
  XXY=              9.6945  XXZ=             -1.5353  XZZ=             -3.5294  YZZ=             -0.5081
  YYZ=             -1.4384  XYZ=             -0.7051
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -788.4723 YYYY=           -290.4840 ZZZZ=            -84.6069 XXXY=            -15.6177
 XXXZ=             -2.9322 YYYX=             -0.3554 YYYZ=              1.6357 ZZZX=              1.1028
 ZZZY=             -1.4053 XXYY=           -170.2792 XXZZ=           -130.4724 YYZZ=            -60.4072
 XXYZ=              1.0936 YYXZ=             -2.5228 ZZXY=              0.1519
 N-N= 3.060908189920D+02 E-N=-1.332582910244D+03  KE= 3.078562151405D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 22:11:56 2021, MaxMem= 10737418240 cpu:               5.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.16987960D+00 4.47327229D-01-7.97472953D-02
 Polarizability= 8.20998665D+01-1.97653910D-01 7.14869907D+01
                 2.18277203D-01-4.09231922D-01 5.84645547D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.1805   -0.1812        0.0453    0.0463
 2      0.1805    0.1812        0.2385    0.2382       -5.8401   -5.8396
 3     -0.0453   -0.0463       12.9787   12.9759       -0.2382   -0.2382
 4     -0.2385   -0.2382        0.0000    0.0000       -0.0450   -0.0463
 5     -7.1387   -7.1363        0.0450    0.0463       -0.1815   -0.1812
 6      0.2382    0.2382        0.1815    0.1812       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.5437    0.5437        0.1388    0.1388
 2     -0.7145   -0.7145        0.0000    0.0000        0.1388    0.1388
 3     -0.7145   -0.7145        0.5437    0.5437       -0.0000    0.0000
 4      0.5437    0.5437        0.7145    0.7145      -17.5189  -17.5189
 5     -0.1388   -0.1388       38.9278   38.9278       -0.7145   -0.7145
 6    -21.4089  -21.4089        0.1388    0.1388       -0.5437   -0.5437
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0320    0.0000        0.6716    0.7250       -0.0645   -0.1851
 2     -0.7894   -0.7250       -1.0339   -0.9527       23.1848   23.3586
 3      0.1342    0.1851      -51.9689  -51.9038        1.0407    0.9527
 4      1.0425    0.9527       -0.0529    0.0000        0.4413    0.1851
 5     28.6998   28.5452       -0.0906   -0.1851        0.8470    0.7250
 6     -0.9141   -0.9527       -0.7752   -0.7250       -0.0230    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3232    0.0000        2.8056    2.5328        0.2120    0.0974
 2     -2.5101   -2.5328        6.8772    7.3077       -4.7507   -4.3178
 3      0.1231   -0.0974        2.3041    2.3073       -7.4384   -7.3077
 4     -7.2657   -7.3077       -0.0744    0.0000       -0.3352   -0.0974
 5      1.9410    2.0105        0.0726    0.0974        2.5833    2.5328
 6      7.3085    7.3077       -2.5799   -2.5328        0.0482    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -2.3666   -2.2722       20.0054   20.1299        7.1775    7.2407
 2    -19.3191  -19.3012       22.3447   22.3857        7.1413    7.2407
 3    -19.2650  -19.3012       20.0600   20.1299        3.9259    4.0081
 4     -2.4302   -2.2557       16.6419   17.0290       -9.6099   -9.7023
 5     -3.1780   -3.2326        0.6535    0.8088      -16.9309  -17.0290
 6      8.7309    8.8934        3.1726    3.2326        2.3916    2.2557
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.9418   -0.0005   -0.0004    0.0005    4.6992   10.1764
 Low frequencies ---   85.9645  172.0819  241.6185
 Diagonal vibrational polarizability:
        3.5032084       3.8653291      21.0127098
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     85.9637               172.0815               241.6185
 Red. masses --      2.9598                 1.9348                 1.0574
 Frc consts  --      0.0129                 0.0338                 0.0364
 IR Inten    --      5.5435                 0.2528                 0.0665
 RamAct Fr= 1--      0.3974                 0.2576                 0.0500
  Dep-P Fr= 1--      0.7356                 0.6383                 0.6263
  Dep-U Fr= 1--      0.8476                 0.7792                 0.7702
 Alpha2 Fr= 1--      0.0001                 0.0005                 0.0001
 Beta2  Fr= 1--      0.0561                 0.0335                 0.0064
 AlphaG Fr= 1--     -0.0008                -0.0034                -0.0000
 Gamma2 Fr= 1--     -0.1330                -0.1964                -0.0620
 Delta2 Fr= 1--      0.1191                -0.0578                 0.0459
 Raman1 Fr= 1--       1.590                  1.030                  0.200
 ROA1   Fr= 1--      -8.957                -20.703                 -4.479
 CID1   Fr= 1--      -5.635                -20.094                -22.386
 Raman2 Fr= 1--       0.674                  0.401                  0.077
 ROA2   Fr= 1--      -4.145                 -4.251                 -1.854
 CID2   Fr= 1--      -6.153                -10.591                -24.064
 Raman3 Fr= 1--       1.347                  0.803                  0.154
 ROA3   Fr= 1--      -8.957                -20.703                 -4.479
 CID3   Fr= 1--      -6.647                -25.787                -29.064
 RC180  Fr= 1--       0.695                  0.558                  0.540
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.02    -0.03  -0.04   0.17    -0.01   0.01   0.03
     2   6     0.04   0.03  -0.03    -0.02   0.02   0.06     0.00   0.03   0.00
     3   6     0.00  -0.01  -0.13     0.02  -0.01  -0.15    -0.01   0.00  -0.00
     4   6     0.00   0.00  -0.03    -0.01   0.01  -0.02     0.00  -0.00  -0.01
     5   6    -0.00  -0.02  -0.24     0.00   0.01   0.08     0.01   0.01  -0.03
     6   1     0.13  -0.11  -0.19     0.30  -0.17  -0.28     0.02   0.00  -0.01
     7   1    -0.07   0.07  -0.25    -0.14   0.12  -0.40    -0.03   0.00  -0.02
     8   8     0.01   0.01   0.24    -0.01   0.02   0.02     0.01  -0.02   0.00
     9   1    -0.04   0.14  -0.46     0.04  -0.03   0.12     0.02   0.04  -0.06
    10   1    -0.02  -0.29  -0.34    -0.02   0.07   0.10     0.01  -0.03  -0.04
    11   1     0.02   0.03   0.13     0.08   0.02   0.38    -0.01   0.04   0.08
    12   1    -0.14  -0.08   0.05    -0.25  -0.20   0.22    -0.04  -0.03   0.04
    13   6    -0.03  -0.00   0.13     0.04   0.00  -0.13    -0.01  -0.02  -0.00
    14   1     0.18   0.13  -0.02    -0.12   0.10   0.07     0.01   0.04   0.00
    15   1    -0.18  -0.11   0.13     0.18  -0.10  -0.14     0.12   0.51   0.03
    16   1     0.01   0.03   0.31    -0.01   0.05  -0.15     0.12  -0.34  -0.47
    17   1     0.04   0.04   0.09     0.01   0.05  -0.26    -0.28  -0.30   0.43
                      4                      5                      6
                      A                      A                      A
 Frequencies --    281.8158               413.1140               461.5819
 Red. masses --      2.5876                 1.8208                 2.2680
 Frc consts  --      0.1211                 0.1831                 0.2847
 IR Inten    --      1.0650                 0.5374                 0.5640
 RamAct Fr= 1--      0.4551                 0.9171                 2.4655
  Dep-P Fr= 1--      0.7164                 0.1365                 0.3182
  Dep-U Fr= 1--      0.8348                 0.2402                 0.4828
 Alpha2 Fr= 1--      0.0003                 0.0147                 0.0239
 Beta2  Fr= 1--      0.0633                 0.0367                 0.1984
 AlphaG Fr= 1--     -0.0023                 0.0077                 0.0254
 Gamma2 Fr= 1--     -0.1694                -0.1916                 0.8097
 Delta2 Fr= 1--      0.0329                -0.0570                -0.4441
 Raman1 Fr= 1--       1.820                  3.668                  9.862
 ROA1   Fr= 1--     -15.207                -20.214                 63.521
 CID1   Fr= 1--      -8.354                 -5.511                  6.441
 Raman2 Fr= 1--       0.760                  0.440                  2.380
 ROA2   Fr= 1--      -4.328                 -4.142                 22.985
 CID2   Fr= 1--      -5.696                 -9.403                  9.656
 Raman3 Fr= 1--       1.520                  0.881                  4.761
 ROA3   Fr= 1--     -15.207                -20.214                 63.521
 CID3   Fr= 1--     -10.007                -22.946                 13.342
 RC180  Fr= 1--       0.670                 -0.520                 -0.034
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.13   0.01    -0.02   0.10  -0.03     0.03   0.03   0.00
     2   6    -0.01  -0.12  -0.00     0.03   0.01   0.17    -0.08   0.02  -0.04
     3   6     0.05  -0.04   0.02    -0.03  -0.03  -0.00     0.07  -0.01   0.01
     4   6    -0.03  -0.01  -0.00    -0.02  -0.02   0.04     0.06   0.00   0.23
     5   6    -0.05  -0.12  -0.03    -0.01  -0.05  -0.02     0.00  -0.05   0.01
     6   1     0.05  -0.00   0.03    -0.07  -0.12  -0.03     0.21  -0.43  -0.17
     7   1     0.08  -0.03   0.05    -0.07  -0.01  -0.05    -0.01   0.29  -0.32
     8   8    -0.08   0.12  -0.01    -0.05   0.04  -0.02     0.05  -0.01  -0.10
     9   1    -0.11  -0.06  -0.10    -0.01   0.16  -0.33    -0.18   0.15  -0.25
    10   1    -0.08  -0.21  -0.06    -0.09  -0.42  -0.13     0.23  -0.37  -0.13
    11   1     0.09  -0.14   0.04    -0.11   0.00  -0.31     0.04  -0.00  -0.04
    12   1     0.04  -0.18   0.01     0.03   0.44  -0.06     0.09   0.03  -0.01
    13   6     0.08   0.22   0.01     0.11  -0.04  -0.03    -0.14   0.04  -0.01
    14   1    -0.01  -0.14  -0.00     0.03   0.01   0.17    -0.13   0.03  -0.04
    15   1     0.17   0.52   0.03     0.37  -0.13  -0.04    -0.24   0.06  -0.00
    16   1    -0.14   0.35  -0.22     0.07  -0.05  -0.16    -0.12   0.04   0.05
    17   1     0.32   0.21   0.23    -0.01  -0.02  -0.19    -0.10   0.03   0.05
                      7                      8                      9
                      A                      A                      A
 Frequencies --    489.2637               539.5868               585.8708
 Red. masses --      3.5448                 3.7346                 2.7715
 Frc consts  --      0.4999                 0.6406                 0.5605
 IR Inten    --      7.6932                 4.0311                 3.5677
 RamAct Fr= 1--      1.5822                 6.2140                 1.7527
  Dep-P Fr= 1--      0.7383                 0.1622                 0.6797
  Dep-U Fr= 1--      0.8495                 0.2791                 0.8093
 Alpha2 Fr= 1--      0.0003                 0.0931                 0.0022
 Beta2  Fr= 1--      0.2240                 0.2891                 0.2364
 AlphaG Fr= 1--     -0.0024                 0.1033                 0.0266
 Gamma2 Fr= 1--      0.0092                -0.1786                -0.0936
 Delta2 Fr= 1--      0.1388                 0.1320                 0.1566
 Raman1 Fr= 1--       6.329                 24.856                  7.011
 ROA1   Fr= 1--       5.324                -12.919                 -3.973
 CID1   Fr= 1--       0.841                 -0.520                 -0.567
 Raman2 Fr= 1--       2.688                  3.469                  2.837
 ROA2   Fr= 1--      -0.889                 -5.342                 -3.499
 CID2   Fr= 1--      -0.331                 -1.540                 -1.233
 Raman3 Fr= 1--       5.376                  6.938                  5.674
 ROA3   Fr= 1--       5.324                -12.919                 -3.973
 CID3   Fr= 1--       0.990                 -1.862                 -0.700
 RC180  Fr= 1--       0.699                 -0.442                  0.619
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.00     0.03  -0.05  -0.03     0.18   0.08   0.05
     2   6     0.05   0.11  -0.10     0.16   0.03  -0.12    -0.03   0.07   0.03
     3   6    -0.03  -0.21   0.03    -0.04   0.00   0.04     0.17  -0.08   0.05
     4   6     0.04  -0.13   0.03    -0.19   0.04   0.19    -0.09  -0.10  -0.11
     5   6     0.17  -0.05   0.01    -0.03   0.15  -0.03    -0.05   0.03  -0.05
     6   1    -0.07  -0.32   0.00     0.08  -0.33  -0.11     0.42  -0.14  -0.04
     7   1    -0.15  -0.27  -0.03     0.05   0.40  -0.22     0.05   0.04  -0.17
     8   8    -0.11   0.25  -0.01    -0.17  -0.10  -0.06    -0.12  -0.08   0.04
     9   1     0.36  -0.19   0.18    -0.16   0.10   0.07     0.23  -0.13   0.14
    10   1     0.34   0.19   0.06     0.15   0.21  -0.04    -0.17   0.28   0.06
    11   1    -0.23   0.14   0.06    -0.06   0.09   0.14     0.04  -0.02  -0.28
    12   1    -0.05  -0.04   0.00     0.02  -0.22  -0.01     0.41   0.33  -0.01
    13   6    -0.02  -0.03   0.01     0.21  -0.04   0.04    -0.08   0.04  -0.01
    14   1     0.06   0.13  -0.10     0.28   0.01  -0.12    -0.06   0.16   0.04
    15   1    -0.20  -0.07   0.01     0.11  -0.03   0.04    -0.07   0.07  -0.01
    16   1     0.16  -0.15   0.14     0.26  -0.07   0.10    -0.09   0.05  -0.03
    17   1    -0.13  -0.08   0.04     0.22  -0.05   0.08    -0.07   0.04   0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    728.5251               813.0151               846.7990
 Red. masses --      1.9441                 3.0333                 2.2085
 Frc consts  --      0.6079                 1.1813                 0.9331
 IR Inten    --      2.3210                 3.4007                 0.6577
 RamAct Fr= 1--      2.3284                12.9277                 5.2141
  Dep-P Fr= 1--      0.0682                 0.1020                 0.1240
  Dep-U Fr= 1--      0.1277                 0.1852                 0.2206
 Alpha2 Fr= 1--      0.0440                 0.2252                 0.0860
 Beta2  Fr= 1--      0.0496                 0.3990                 0.1917
 AlphaG Fr= 1--     -0.0321                -0.0992                -0.1914
 Gamma2 Fr= 1--     -0.2594                 0.7797                -0.4307
 Delta2 Fr= 1--     -0.3270                 0.0188                 0.1530
 Raman1 Fr= 1--       9.313                 51.711                 20.857
 ROA1   Fr= 1--     -35.370                 75.456                -36.451
 CID1   Fr= 1--      -3.798                  1.459                 -1.748
 Raman2 Fr= 1--       0.595                  4.788                  2.301
 ROA2   Fr= 1--      -3.610                 18.563                -11.560
 CID2   Fr= 1--      -6.070                  3.877                 -5.025
 Raman3 Fr= 1--       1.190                  9.575                  4.601
 ROA3   Fr= 1--     -35.370                 75.456                -36.451
 CID3   Fr= 1--     -29.733                  7.880                 -7.922
 RC180  Fr= 1--      -0.745                 -0.630                 -0.559
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07  -0.01   0.04    -0.05   0.10   0.07     0.04   0.19   0.06
     2   6    -0.01  -0.07  -0.01    -0.02  -0.08  -0.07     0.01   0.01  -0.12
     3   6    -0.06  -0.08   0.10    -0.07   0.26   0.05     0.02  -0.05  -0.04
     4   6     0.08   0.07  -0.02    -0.04  -0.03  -0.02     0.03  -0.03  -0.02
     5   6    -0.10   0.05  -0.09     0.13  -0.23  -0.04    -0.15  -0.07   0.08
     6   1     0.20  -0.42  -0.08     0.25   0.09  -0.09    -0.02   0.12   0.03
     7   1    -0.30   0.09  -0.26    -0.22   0.41  -0.21    -0.15  -0.32   0.05
     8   8     0.11   0.04  -0.00    -0.04  -0.01   0.01     0.01  -0.01   0.01
     9   1    -0.18  -0.15   0.22     0.23  -0.40   0.18    -0.43   0.01  -0.00
    10   1    -0.24   0.39   0.05     0.22   0.07   0.05    -0.13  -0.21   0.03
    11   1    -0.25  -0.05  -0.23     0.00  -0.04  -0.14    -0.06   0.33   0.20
    12   1     0.15   0.20  -0.02     0.13   0.24   0.03     0.00   0.02   0.07
    13   6     0.04  -0.02   0.01     0.05  -0.03  -0.00     0.10  -0.03  -0.02
    14   1     0.07   0.01  -0.01    -0.05   0.03  -0.06    -0.18  -0.01  -0.12
    15   1     0.10   0.03   0.01    -0.11   0.04   0.01    -0.27   0.09  -0.00
    16   1    -0.06   0.05  -0.05     0.06  -0.01   0.08     0.18  -0.02   0.21
    17   1     0.13   0.00   0.02     0.17  -0.05   0.13     0.27  -0.08   0.23
                     13                     14                     15
                      A                      A                      A
 Frequencies --    893.0032               938.9536               953.0763
 Red. masses --      1.6298                 1.7363                 1.3845
 Frc consts  --      0.7658                 0.9019                 0.7410
 IR Inten    --      4.7625                 0.6940                 2.0220
 RamAct Fr= 1--      0.8326                 1.3706                 0.6695
  Dep-P Fr= 1--      0.3438                 0.5020                 0.4569
  Dep-U Fr= 1--      0.5117                 0.6684                 0.6272
 Alpha2 Fr= 1--      0.0075                 0.0067                 0.0040
 Beta2  Fr= 1--      0.0710                 0.1527                 0.0700
 AlphaG Fr= 1--      0.0407                -0.0180                 0.0417
 Gamma2 Fr= 1--      0.1073                 0.1601                -0.3181
 Delta2 Fr= 1--     -0.3154                 0.4305                -0.0877
 Raman1 Fr= 1--       3.330                  5.483                  2.678
 ROA1   Fr= 1--       0.205                 29.150                -33.343
 CID1   Fr= 1--       0.062                  5.317                -12.451
 Raman2 Fr= 1--       0.852                  1.832                  0.840
 ROA2   Fr= 1--       5.098                  0.399                 -6.933
 CID2   Fr= 1--       5.983                  0.218                 -8.255
 Raman3 Fr= 1--       1.704                  3.665                  1.680
 ROA3   Fr= 1--       0.205                 29.150                -33.343
 CID3   Fr= 1--       0.121                  7.954                -19.851
 RC180  Fr= 1--       0.023                  0.337                  0.254
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.09   0.05    -0.07  -0.07  -0.06    -0.04  -0.08   0.07
     2   6     0.01  -0.02  -0.03     0.01   0.11  -0.01    -0.00   0.04   0.00
     3   6    -0.06  -0.03   0.02     0.06   0.02   0.06     0.04  -0.01  -0.09
     4   6    -0.03   0.06  -0.08     0.00   0.02  -0.05    -0.00   0.02   0.07
     5   6     0.09   0.09   0.10    -0.06  -0.10   0.04    -0.03  -0.02  -0.04
     6   1     0.30   0.14  -0.02     0.22  -0.04  -0.00    -0.07   0.26   0.03
     7   1    -0.23  -0.06  -0.10     0.13   0.23  -0.06     0.21  -0.12   0.15
     8   8    -0.01  -0.00   0.01     0.02  -0.01   0.01     0.01  -0.01  -0.01
     9   1     0.04   0.34  -0.26    -0.06  -0.08   0.01    -0.29  -0.13   0.16
    10   1     0.08  -0.33  -0.04    -0.28  -0.11   0.07     0.25   0.15  -0.02
    11   1    -0.23  -0.14  -0.27    -0.18   0.02  -0.01    -0.06  -0.29  -0.32
    12   1     0.32   0.12  -0.03     0.05  -0.16  -0.08    -0.05   0.40   0.04
    13   6     0.01  -0.00  -0.04     0.05   0.10   0.01     0.03   0.01  -0.01
    14   1    -0.22  -0.06  -0.03    -0.05  -0.06  -0.02    -0.03   0.44   0.03
    15   1    -0.29   0.07  -0.02    -0.07  -0.21  -0.01    -0.12   0.02  -0.01
    16   1     0.09  -0.01   0.15     0.49  -0.28   0.15     0.14  -0.05   0.09
    17   1     0.09  -0.05   0.14    -0.48  -0.03  -0.11    -0.01  -0.04   0.07
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1001.0357              1007.7734              1085.6066
 Red. masses --      1.7890                 1.2097                 2.6980
 Frc consts  --      1.0562                 0.7239                 1.8734
 IR Inten    --      2.3278                 1.1242                14.4784
 RamAct Fr= 1--      4.5240                 1.7575                 2.2613
  Dep-P Fr= 1--      0.4191                 0.3463                 0.7499
  Dep-U Fr= 1--      0.5906                 0.5145                 0.8571
 Alpha2 Fr= 1--      0.0313                 0.0156                 0.0000
 Beta2  Fr= 1--      0.4453                 0.1507                 0.3230
 AlphaG Fr= 1--      0.0258                -0.1271                 0.0007
 Gamma2 Fr= 1--     -0.5564                -0.4295                -0.2113
 Delta2 Fr= 1--      0.1319                 1.1988                 0.3083
 Raman1 Fr= 1--      18.096                  7.030                  9.045
 ROA1   Fr= 1--     -49.194                 -2.866                -10.423
 CID1   Fr= 1--      -2.719                 -0.408                 -1.152
 Raman2 Fr= 1--       5.344                  1.808                  3.876
 ROA2   Fr= 1--     -14.408                -19.898                 -7.539
 CID2   Fr= 1--      -2.696                -11.003                 -1.945
 Raman3 Fr= 1--      10.688                  3.617                  7.752
 ROA3   Fr= 1--     -49.194                 -2.866                -10.423
 CID3   Fr= 1--      -4.603                 -0.793                 -1.345
 RC180  Fr= 1--       0.181                  0.029                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.17   0.04  -0.01     0.04   0.01   0.03     0.04   0.03   0.04
     2   6     0.00  -0.04  -0.03     0.04   0.00  -0.05     0.26  -0.09   0.05
     3   6     0.17  -0.02   0.01    -0.04   0.01  -0.02    -0.03  -0.05  -0.00
     4   6    -0.02   0.01  -0.01    -0.00   0.01  -0.00    -0.06   0.14  -0.01
     5   6     0.02   0.02   0.02    -0.01  -0.03   0.03     0.06  -0.08   0.01
     6   1     0.34   0.22   0.06     0.19   0.22  -0.00    -0.25  -0.15   0.01
     7   1     0.36   0.10   0.07    -0.28  -0.21  -0.04     0.17   0.11   0.03
     8   8    -0.01  -0.02   0.00    -0.01  -0.00   0.00    -0.01  -0.02   0.00
     9   1    -0.02   0.06  -0.03    -0.34  -0.03   0.06    -0.18  -0.11   0.08
    10   1     0.14  -0.05  -0.02     0.30  -0.05  -0.03    -0.29  -0.05   0.07
    11   1    -0.56   0.28   0.02    -0.06   0.03  -0.03    -0.20   0.19   0.07
    12   1    -0.14   0.05  -0.01     0.28  -0.06  -0.02    -0.21   0.25   0.08
    13   6    -0.02  -0.05   0.02    -0.05   0.04   0.06    -0.14   0.06  -0.11
    14   1     0.11  -0.12  -0.03     0.39  -0.06  -0.04     0.34  -0.05   0.05
    15   1     0.16   0.04   0.02     0.34  -0.13   0.03    -0.44   0.09  -0.11
    16   1    -0.24   0.11  -0.13    -0.09  -0.03  -0.20    -0.07   0.04   0.04
    17   1     0.17   0.03  -0.02    -0.27   0.09  -0.24    -0.18  -0.01   0.02
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1149.8992              1161.7118              1173.7216
 Red. masses --      2.1147                 3.0108                 1.5625
 Frc consts  --      1.6475                 2.3940                 1.2683
 IR Inten    --      1.5556                57.5608                 6.6993
 RamAct Fr= 1--      2.2349                 2.2453                 1.1021
  Dep-P Fr= 1--      0.7354                 0.7167                 0.7099
  Dep-U Fr= 1--      0.8476                 0.8350                 0.8303
 Alpha2 Fr= 1--      0.0006                 0.0013                 0.0008
 Beta2  Fr= 1--      0.3157                 0.3125                 0.1525
 AlphaG Fr= 1--     -0.0054                 0.0025                 0.0015
 Gamma2 Fr= 1--     -0.6224                 0.6843                -0.9090
 Delta2 Fr= 1--      0.2598                -0.0284                 0.2606
 Raman1 Fr= 1--       8.940                  8.981                  4.409
 ROA1   Fr= 1--     -51.434                 64.783                -78.924
 CID1   Fr= 1--      -5.753                  7.213                -17.902
 Raman2 Fr= 1--       3.788                  3.750                  1.830
 ROA2   Fr= 1--     -17.016                 16.650                -23.900
 CID2   Fr= 1--      -4.491                  4.441                -13.058
 Raman3 Fr= 1--       7.577                  7.499                  3.661
 ROA3   Fr= 1--     -51.434                 64.783                -78.924
 CID3   Fr= 1--      -6.788                  8.639                -21.560
 RC180  Fr= 1--       0.695                  0.670                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.09  -0.05     0.08   0.02  -0.03     0.06  -0.04   0.01
     2   6     0.08   0.17  -0.00    -0.13   0.04  -0.02    -0.01   0.06   0.02
     3   6    -0.08   0.04   0.03     0.01  -0.13   0.04    -0.06  -0.02  -0.09
     4   6     0.04  -0.08  -0.07    -0.11   0.28  -0.11    -0.02   0.07   0.12
     5   6    -0.07  -0.06   0.09     0.04  -0.13   0.04    -0.03  -0.06  -0.05
     6   1     0.01  -0.06  -0.03    -0.27  -0.33   0.03     0.08   0.32  -0.00
     7   1     0.16   0.37  -0.04     0.11   0.04  -0.02     0.01  -0.11   0.05
     8   8     0.02   0.02   0.01     0.03  -0.04   0.02     0.03  -0.00  -0.02
     9   1    -0.12   0.01  -0.01     0.06  -0.10  -0.01     0.53  -0.14  -0.00
    10   1    -0.04  -0.17   0.04     0.56  -0.05  -0.02    -0.27   0.07   0.04
    11   1    -0.10   0.01  -0.02    -0.01   0.13   0.09    -0.44   0.26   0.02
    12   1     0.05  -0.05  -0.05    -0.15  -0.01   0.02     0.36  -0.15  -0.04
    13   6    -0.04  -0.11  -0.01     0.04  -0.03   0.07     0.00  -0.02   0.00
    14   1     0.20   0.47   0.02    -0.19   0.34  -0.01    -0.09  -0.11   0.01
    15   1     0.05   0.24   0.01     0.28  -0.03   0.06     0.02   0.04   0.01
    16   1    -0.38   0.21  -0.08    -0.04  -0.00  -0.06    -0.06   0.04   0.00
    17   1     0.38   0.02   0.05     0.09   0.03  -0.03     0.09   0.00   0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1224.2581              1255.4362              1269.5278
 Red. masses --      1.6254                 1.4809                 1.5134
 Frc consts  --      1.4353                 1.3752                 1.4371
 IR Inten    --      1.2887                 0.2313                 7.1775
 RamAct Fr= 1--      1.7042                 4.3070                 0.4717
  Dep-P Fr= 1--      0.5498                 0.7188                 0.4729
  Dep-U Fr= 1--      0.7095                 0.8364                 0.6421
 Alpha2 Fr= 1--      0.0065                 0.0023                 0.0026
 Beta2  Fr= 1--      0.2015                 0.6004                 0.0505
 AlphaG Fr= 1--      0.0128                 0.0013                 0.0071
 Gamma2 Fr= 1--     -1.3111                 1.2418                -0.4843
 Delta2 Fr= 1--     -0.6938                 0.2697                -0.4525
 Raman1 Fr= 1--       6.817                 17.228                  1.887
 ROA1   Fr= 1--    -148.067                127.848                -60.972
 CID1   Fr= 1--     -21.720                  7.421                -32.312
 Raman2 Fr= 1--       2.418                  7.205                  0.606
 ROA2   Fr= 1--     -25.916                 27.646                 -8.002
 CID2   Fr= 1--     -10.716                  3.837                -13.209
 Raman3 Fr= 1--       4.837                 14.410                  1.212
 ROA3   Fr= 1--    -148.067                127.848                -60.972
 CID3   Fr= 1--     -30.612                  8.872                -50.323
 RC180  Fr= 1--       0.419                  0.673                  0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.13     0.07   0.02   0.00    -0.02   0.02  -0.03
     2   6     0.01   0.02   0.15    -0.05  -0.04   0.08    -0.02   0.05  -0.00
     3   6     0.02  -0.01   0.05    -0.11  -0.05  -0.02    -0.00  -0.04  -0.01
     4   6    -0.02   0.04   0.02     0.03  -0.07  -0.04    -0.02   0.03   0.03
     5   6    -0.02  -0.02  -0.04     0.02   0.03  -0.05     0.18  -0.02  -0.03
     6   1     0.43   0.21   0.03     0.06   0.15   0.01     0.13   0.13   0.02
     7   1    -0.38  -0.27  -0.07     0.41   0.45   0.01     0.00  -0.04  -0.00
     8   8    -0.01  -0.01  -0.00     0.01   0.02   0.00    -0.03  -0.01  -0.00
     9   1    -0.11  -0.10   0.09    -0.37  -0.02   0.08    -0.59  -0.04   0.09
    10   1     0.35   0.10  -0.05     0.35   0.11  -0.07    -0.60   0.03   0.11
    11   1     0.13   0.05   0.12    -0.23   0.25   0.11     0.14  -0.06  -0.00
    12   1    -0.11  -0.25  -0.10     0.14  -0.08   0.00     0.11  -0.17  -0.04
    13   6     0.00  -0.02  -0.08     0.02   0.03  -0.02    -0.00  -0.04   0.03
    14   1     0.10   0.09   0.15    -0.21  -0.19   0.07    -0.28   0.11  -0.00
    15   1    -0.28   0.13  -0.06    -0.07  -0.04  -0.01     0.11   0.03   0.03
    16   1     0.00   0.07   0.15     0.09  -0.02   0.07    -0.11   0.04  -0.05
    17   1     0.10  -0.08   0.15    -0.08  -0.03   0.05     0.07   0.02  -0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1306.2423              1322.2091              1349.7942
 Red. masses --      1.3296                 1.3833                 1.3208
 Frc consts  --      1.3366                 1.4248                 1.4178
 IR Inten    --      2.2960                 3.5079                 2.0346
 RamAct Fr= 1--      2.7614                 0.7040                 4.6113
  Dep-P Fr= 1--      0.7500                 0.7498                 0.7496
  Dep-U Fr= 1--      0.8571                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3945                 0.1006                 0.6586
 AlphaG Fr= 1--      0.0006                -0.0002                -0.0029
 Gamma2 Fr= 1--     -3.2370                 0.0194                -0.7363
 Delta2 Fr= 1--     -0.9934                -0.5408                 0.9746
 Raman1 Fr= 1--      11.046                  2.816                 18.445
 ROA1   Fr= 1--    -342.536                -15.442                -39.499
 CID1   Fr= 1--     -31.011                 -5.484                 -2.141
 Raman2 Fr= 1--       4.734                  1.207                  7.903
 ROA2   Fr= 1--     -69.740                  4.793                -25.468
 CID2   Fr= 1--     -14.733                  3.972                 -3.223
 Raman3 Fr= 1--       9.467                  2.413                 15.806
 ROA3   Fr= 1--    -342.536                -15.442                -39.499
 CID3   Fr= 1--     -36.180                 -6.399                 -2.499
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.02    -0.11   0.08   0.05    -0.01   0.05  -0.03
     2   6     0.01  -0.01  -0.06    -0.02   0.05   0.02    -0.04  -0.14   0.00
     3   6    -0.09  -0.10   0.03    -0.01  -0.07  -0.03    -0.01  -0.02  -0.01
     4   6    -0.00   0.02   0.03    -0.02   0.04  -0.01     0.00  -0.02   0.01
     5   6    -0.03  -0.01   0.01    -0.01  -0.02   0.01     0.01   0.03   0.03
     6   1     0.50   0.41   0.07    -0.07  -0.00   0.01     0.00   0.07   0.01
     7   1     0.15   0.21  -0.03     0.29   0.14   0.04     0.06   0.08  -0.03
     8   8     0.02   0.01  -0.01     0.01  -0.00   0.00     0.00   0.01  -0.00
     9   1     0.24   0.01  -0.04     0.07  -0.01  -0.01     0.15   0.06  -0.02
    10   1    -0.10  -0.04   0.01     0.06  -0.02   0.00    -0.15  -0.08   0.02
    11   1     0.35  -0.14   0.01     0.40  -0.31  -0.11    -0.05   0.11   0.04
    12   1    -0.44   0.24   0.06     0.47  -0.27  -0.04     0.23  -0.27  -0.06
    13   6    -0.01   0.01   0.02    -0.00  -0.02  -0.05     0.01   0.04  -0.01
    14   1     0.04   0.02  -0.06     0.41  -0.27   0.00     0.24   0.81   0.06
    15   1     0.05  -0.03   0.01    -0.05   0.06  -0.03    -0.04  -0.14  -0.02
    16   1     0.02  -0.04  -0.05     0.04   0.01   0.09     0.08  -0.05  -0.03
    17   1    -0.02   0.03  -0.06     0.12  -0.03   0.09    -0.08  -0.03   0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1386.8413              1416.8470              1450.1610
 Red. masses --      1.5337                 1.2493                 1.0910
 Frc consts  --      1.7380                 1.4776                 1.3517
 IR Inten    --      4.6972                 4.0681                16.6473
 RamAct Fr= 1--      2.9206                 0.0452                 1.3152
  Dep-P Fr= 1--      0.7077                 0.3781                 0.7419
  Dep-U Fr= 1--      0.8288                 0.5487                 0.8518
 Alpha2 Fr= 1--      0.0021                 0.0004                 0.0002
 Beta2  Fr= 1--      0.4035                 0.0041                 0.1867
 AlphaG Fr= 1--     -0.0035                 0.0053                -0.0032
 Gamma2 Fr= 1--     -0.7336                -0.0221                -0.3056
 Delta2 Fr= 1--      0.1562                 0.0307                 0.1251
 Raman1 Fr= 1--      11.683                  0.181                  5.261
 ROA1   Fr= 1--     -65.428                 -1.140                -25.334
 CID1   Fr= 1--      -5.600                 -6.304                 -4.816
 Raman2 Fr= 1--       4.841                  0.050                  2.241
 ROA2   Fr= 1--     -18.856                 -0.776                 -8.335
 CID2   Fr= 1--      -3.895                -15.652                 -3.720
 Raman3 Fr= 1--       9.683                  0.099                  4.481
 ROA3   Fr= 1--     -65.428                 -1.140                -25.334
 CID3   Fr= 1--      -6.757                -11.488                 -5.654
 RC180  Fr= 1--       0.658                  0.097                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.04   0.01     0.00  -0.01  -0.01    -0.01  -0.00  -0.00
     2   6    -0.18   0.03  -0.01     0.02  -0.01   0.01     0.02  -0.01   0.00
     3   6    -0.01   0.02  -0.00    -0.00   0.01   0.00     0.02  -0.02   0.00
     4   6     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
     5   6     0.07  -0.01   0.02     0.00  -0.00  -0.00    -0.01  -0.07   0.02
     6   1     0.04  -0.04  -0.03     0.01   0.00  -0.00    -0.18   0.18   0.11
     7   1    -0.02  -0.05   0.05    -0.03  -0.01  -0.00    -0.11   0.12  -0.22
     8   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.14   0.10  -0.10    -0.02   0.02  -0.03    -0.05   0.35  -0.54
    10   1    -0.22   0.08   0.09     0.00   0.04   0.01     0.04   0.60   0.22
    11   1    -0.19   0.10   0.00    -0.03   0.01  -0.00     0.03   0.00   0.04
    12   1    -0.26   0.18   0.06    -0.03  -0.00  -0.00     0.06   0.02  -0.01
    13   6     0.04  -0.00  -0.05    -0.13   0.04  -0.04     0.00  -0.00   0.00
    14   1     0.78  -0.15  -0.00    -0.06   0.01   0.01    -0.05   0.02   0.00
    15   1    -0.05  -0.00  -0.04     0.56  -0.13  -0.05    -0.01  -0.01   0.00
    16   1     0.09   0.01   0.14     0.38  -0.33   0.26    -0.04   0.03  -0.01
    17   1     0.06  -0.08   0.14     0.48   0.08   0.28    -0.04  -0.01  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1453.9407              1496.2972              1499.7307
 Red. masses --      1.0894                 1.0556                 1.0530
 Frc consts  --      1.3569                 1.3925                 1.3954
 IR Inten    --      3.3123                 1.9298                 5.6881
 RamAct Fr= 1--      7.5887                 2.4040                 3.4077
  Dep-P Fr= 1--      0.6812                 0.7142                 0.6844
  Dep-U Fr= 1--      0.8104                 0.8333                 0.8126
 Alpha2 Fr= 1--      0.0092                 0.0015                 0.0039
 Beta2  Fr= 1--      1.0249                 0.3339                 0.4615
 AlphaG Fr= 1--     -0.0575                -0.0096                -0.0014
 Gamma2 Fr= 1--      1.0715                 0.0528                 0.1220
 Delta2 Fr= 1--     -0.5716                -0.1031                -0.6996
 Raman1 Fr= 1--      30.355                  9.616                 13.631
 ROA1   Fr= 1--      84.572                  1.768                -10.679
 CID1   Fr= 1--       2.786                  0.184                 -0.783
 Raman2 Fr= 1--      12.299                  4.006                  5.538
 ROA2   Fr= 1--      30.289                  2.092                  8.524
 CID2   Fr= 1--       2.463                  0.522                  1.539
 Raman3 Fr= 1--      24.598                  8.013                 11.077
 ROA3   Fr= 1--      84.572                  1.768                -10.679
 CID3   Fr= 1--       3.438                  0.221                 -0.964
 RC180  Fr= 1--       0.621                  0.667                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01  -0.01     0.01   0.02   0.01     0.02   0.02   0.02
     2   6     0.02  -0.01  -0.00     0.00  -0.03  -0.01     0.02   0.01  -0.02
     3   6    -0.06   0.04  -0.02    -0.01   0.00  -0.00    -0.01   0.00   0.00
     4   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   6    -0.00  -0.03   0.01    -0.00   0.00   0.00    -0.01  -0.00   0.00
     6   1     0.42  -0.40  -0.26     0.03  -0.02  -0.02     0.03  -0.02  -0.02
     7   1     0.27  -0.28   0.51     0.03  -0.01   0.04     0.01  -0.02   0.03
     8   8    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.02   0.14  -0.22     0.02   0.03  -0.03     0.02   0.00  -0.01
    10   1     0.03   0.23   0.09    -0.01   0.03   0.01     0.00   0.00   0.00
    11   1     0.07   0.03   0.11    -0.06  -0.02  -0.14    -0.06  -0.09  -0.25
    12   1     0.10   0.07  -0.03    -0.07  -0.14   0.03    -0.16  -0.21   0.05
    13   6    -0.00   0.00   0.01    -0.01  -0.05  -0.02     0.02   0.02  -0.04
    14   1    -0.06   0.06   0.00    -0.01   0.07  -0.00    -0.08  -0.01  -0.02
    15   1    -0.01  -0.03   0.00     0.26   0.61   0.03     0.28  -0.32  -0.05
    16   1    -0.01  -0.00  -0.04     0.09   0.10   0.55    -0.27   0.37   0.19
    17   1    -0.01   0.00  -0.00    -0.26   0.03  -0.33    -0.31  -0.31   0.47
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1505.1046              1816.0933              2998.1861
 Red. masses --      1.0821                12.5633                 1.0812
 Frc consts  --      1.4442                24.4134                 5.7261
 IR Inten    --      7.6336               270.7608                 5.8995
 RamAct Fr= 1--      6.3576                18.9592               202.6956
  Dep-P Fr= 1--      0.7495                 0.5563                 0.1955
  Dep-U Fr= 1--      0.8568                 0.7149                 0.3271
 Alpha2 Fr= 1--      0.0001                 0.0699                 2.7854
 Beta2  Fr= 1--      0.9079                 2.2590                11.0506
 AlphaG Fr= 1--     -0.0009                -0.3597                 1.0829
 Gamma2 Fr= 1--     -0.1161                -4.0560                -8.7187
 Delta2 Fr= 1--      0.8658                -1.1289                -6.5775
 Raman1 Fr= 1--      25.430                 75.837                810.782
 ROA1   Fr= 1--      16.562               -425.503              -1047.473
 CID1   Fr= 1--       0.651                 -5.611                 -1.292
 Raman2 Fr= 1--      10.894                 27.108                132.608
 ROA2   Fr= 1--      -9.712                -88.313               -156.629
 CID2   Fr= 1--      -0.891                 -3.258                 -1.181
 Raman3 Fr= 1--      21.789                 54.217                265.215
 ROA3   Fr= 1--      16.562               -425.503              -1047.473
 CID3   Fr= 1--       0.760                 -7.848                 -3.950
 RC180  Fr= 1--       0.714                  0.430                 -0.346
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.03    -0.02  -0.01   0.00     0.00  -0.00   0.02
     2   6    -0.01  -0.01  -0.01    -0.03  -0.00  -0.00     0.00   0.00  -0.07
     3   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00     0.76   0.30  -0.03    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.00    -0.04  -0.02   0.00     0.00  -0.01   0.03
     6   1    -0.04   0.04   0.03     0.02   0.03  -0.00     0.00   0.00  -0.00
     7   1    -0.02   0.02  -0.06     0.10   0.11  -0.01    -0.01   0.01   0.01
     8   8     0.00   0.00  -0.00    -0.49  -0.20   0.02     0.00  -0.00  -0.00
     9   1     0.02  -0.04   0.07     0.15  -0.01  -0.00     0.01   0.01   0.02
    10   1    -0.03  -0.09  -0.03     0.02  -0.01   0.00    -0.06   0.11  -0.33
    11   1     0.21   0.15   0.55    -0.02  -0.02   0.01     0.01   0.01  -0.00
    12   1     0.33   0.51  -0.11     0.03   0.01  -0.01    -0.04  -0.01  -0.20
    13   6     0.01  -0.01  -0.02     0.00  -0.00   0.00    -0.00   0.00   0.01
    14   1    -0.00   0.02  -0.01     0.04   0.01   0.00    -0.01  -0.05   0.90
    15   1     0.21   0.02  -0.02    -0.00  -0.00   0.00    -0.00   0.01  -0.10
    16   1    -0.08   0.18   0.25    -0.00   0.00   0.00     0.02   0.03  -0.01
    17   1    -0.19  -0.13   0.14    -0.00  -0.00   0.00     0.01  -0.04  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3015.0734              3022.2460              3027.8181
 Red. masses --      1.0698                 1.0426                 1.0652
 Frc consts  --      5.7302                 5.6107                 5.7537
 IR Inten    --     12.0131                16.1487                20.5116
 RamAct Fr= 1--     17.5605                59.8030               313.0850
  Dep-P Fr= 1--      0.4863                 0.0552                 0.0206
  Dep-U Fr= 1--      0.6544                 0.1046                 0.0404
 Alpha2 Fr= 1--      0.0923                 1.1668                 6.6299
 Beta2  Fr= 1--      1.9151                 1.0421                 2.1059
 AlphaG Fr= 1--      0.1548                -0.0153                 1.1917
 Gamma2 Fr= 1--     12.7007                -1.2373                -9.1767
 Delta2 Fr= 1--     11.0280                 0.1813                -1.2279
 Raman1 Fr= 1--      70.242                239.212               1252.340
 ROA1   Fr= 1--    1572.164               -112.974               -920.253
 CID1   Fr= 1--      22.382                 -0.472                 -0.735
 Raman2 Fr= 1--      22.981                 12.506                 25.270
 ROA2   Fr= 1--     216.594                -31.145               -210.417
 CID2   Fr= 1--       9.425                 -2.490                 -8.327
 Raman3 Fr= 1--      45.963                 25.011                 50.541
 ROA3   Fr= 1--    1572.164               -112.974               -920.253
 CID3   Fr= 1--      34.205                 -4.517                -18.208
 RC180  Fr= 1--       0.309                 -0.791                 -0.919
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.01   0.01   0.03    -0.02  -0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.00  -0.00   0.01     0.00   0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.04
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01   0.04  -0.06     0.00  -0.00   0.00    -0.00   0.01  -0.01
     6   1     0.01  -0.02   0.05     0.03  -0.05   0.14    -0.11   0.17  -0.50
     7   1    -0.00   0.00   0.00     0.00  -0.00  -0.01    -0.05   0.04   0.07
     8   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9   1    -0.02  -0.17  -0.15     0.00   0.01   0.01    -0.01  -0.05  -0.04
    10   1     0.13  -0.27   0.82    -0.00   0.00  -0.01     0.03  -0.07   0.20
    11   1    -0.02  -0.04   0.03    -0.06  -0.09   0.06     0.07   0.13  -0.09
    12   1    -0.05  -0.01  -0.28    -0.07  -0.01  -0.39     0.11   0.03   0.61
    13   6     0.00  -0.00   0.01    -0.04   0.01  -0.02    -0.02   0.00  -0.01
    14   1    -0.00  -0.02   0.27    -0.00   0.00  -0.06    -0.00  -0.01   0.22
    15   1     0.00   0.01  -0.11    -0.00  -0.04   0.61     0.00  -0.02   0.24
    16   1    -0.02  -0.02   0.01     0.31   0.34  -0.14     0.17   0.19  -0.07
    17   1    -0.01   0.04   0.02     0.12  -0.39  -0.18     0.07  -0.22  -0.10
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3033.7885              3081.9646              3088.8540
 Red. masses --      1.0647                 1.1002                 1.0966
 Frc consts  --      5.7735                 6.1571                 6.1645
 IR Inten    --     38.6328                20.2723                52.7275
 RamAct Fr= 1--     26.1509                28.4501               141.0546
  Dep-P Fr= 1--      0.6684                 0.7404                 0.3373
  Dep-U Fr= 1--      0.8013                 0.8508                 0.5044
 Alpha2 Fr= 1--      0.0379                 0.0047                 1.2899
 Beta2  Fr= 1--      3.4923                 4.0343                11.8584
 AlphaG Fr= 1--      0.1069                -0.0290                -0.9540
 Gamma2 Fr= 1--     -1.8349               -14.5009                 6.8868
 Delta2 Fr= 1--     -7.1562                -9.5341                 2.4676
 Raman1 Fr= 1--     104.604                113.800                564.218
 ROA1   Fr= 1--    -405.150              -1697.183                740.097
 CID1   Fr= 1--      -3.873                -14.914                  1.312
 Raman2 Fr= 1--      41.908                 48.412                142.300
 ROA2   Fr= 1--      13.212               -271.750                145.542
 CID2   Fr= 1--       0.315                 -5.613                  1.023
 Raman3 Fr= 1--      83.816                 96.824                284.601
 ROA3   Fr= 1--    -405.150              -1697.183                740.097
 CID3   Fr= 1--      -4.834                -17.528                  2.600
 RC180  Fr= 1--       0.603                  0.702                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.03    -0.01  -0.02   0.02    -0.03  -0.05   0.05
     2   6     0.00   0.00  -0.01    -0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   6    -0.03   0.03  -0.04     0.00  -0.00   0.00     0.01  -0.01  -0.01
     4   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     5   6    -0.00   0.01  -0.00     0.00   0.00   0.00    -0.00  -0.01  -0.01
     6   1     0.16  -0.24   0.71    -0.01   0.01  -0.03    -0.01   0.02  -0.05
     7   1     0.14  -0.14  -0.19    -0.02   0.02   0.03    -0.10   0.10   0.12
     8   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.03  -0.03    -0.00  -0.05  -0.04     0.01   0.08   0.06
    10   1     0.01  -0.03   0.08    -0.00  -0.00   0.00     0.00  -0.00   0.01
    11   1     0.12   0.21  -0.13     0.16   0.27  -0.15     0.37   0.65  -0.36
    12   1     0.08   0.02   0.45    -0.02  -0.01  -0.08    -0.05  -0.02  -0.26
    13   6    -0.01   0.00   0.00     0.04   0.02  -0.08    -0.02  -0.03   0.02
    14   1    -0.00  -0.01   0.14     0.00  -0.01   0.09     0.00   0.01  -0.11
    15   1     0.00  -0.00   0.05     0.01  -0.05   0.67    -0.01   0.01  -0.20
    16   1     0.05   0.06  -0.02    -0.37  -0.39   0.14     0.23   0.24  -0.09
    17   1     0.02  -0.08  -0.03    -0.07   0.26   0.09    -0.03   0.08   0.04
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3089.5449              3102.4258              3103.9334
 Red. masses --      1.1014                 1.0926                 1.0949
 Frc consts  --      6.1939                 6.1961                 6.2149
 IR Inten    --     18.5267                13.5962                13.9656
 RamAct Fr= 1--     71.9104               109.3615               101.5118
  Dep-P Fr= 1--      0.6280                 0.2776                 0.4123
  Dep-U Fr= 1--      0.7715                 0.4346                 0.5838
 Alpha2 Fr= 1--      0.1596                 1.1981                 0.7193
 Beta2  Fr= 1--      9.2468                 7.9211                 9.8779
 AlphaG Fr= 1--     -0.3049                -0.8477                -0.5116
 Gamma2 Fr= 1--     -2.0790                 7.2494                15.5022
 Delta2 Fr= 1--      1.6474                -1.6867                 9.2551
 Raman1 Fr= 1--     287.641                437.446                406.047
 ROA1   Fr= 1--    -146.870                641.971               1784.375
 CID1   Fr= 1--      -0.511                  1.468                  4.395
 Raman2 Fr= 1--     110.961                 95.053                118.535
 ROA2   Fr= 1--     -63.076                187.480                298.012
 CID2   Fr= 1--      -0.568                  1.972                  2.514
 Raman3 Fr= 1--     221.923                190.106                237.069
 ROA3   Fr= 1--    -146.870                641.971               1784.375
 CID3   Fr= 1--      -0.662                  3.377                  7.527
 RC180  Fr= 1--       0.543                 -0.131                  0.168
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01     0.00   0.00  -0.01     0.00   0.01  -0.02
     2   6    -0.00  -0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.04  -0.04  -0.07
     4   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   6     0.00   0.00   0.00    -0.01  -0.06  -0.06     0.00   0.00   0.00
     6   1     0.00  -0.00   0.01     0.01  -0.01   0.02     0.07  -0.10   0.24
     7   1     0.04  -0.03  -0.04    -0.01   0.01   0.01    -0.51   0.51   0.60
     8   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1    -0.00  -0.05  -0.03     0.07   0.78   0.55    -0.00  -0.04  -0.03
    10   1    -0.00   0.00  -0.01     0.03  -0.08   0.20    -0.00  -0.00   0.00
    11   1    -0.09  -0.16   0.09    -0.03  -0.05   0.03    -0.06  -0.11   0.06
    12   1     0.01   0.01   0.08     0.01   0.00   0.03     0.03   0.01   0.13
    13   6    -0.01  -0.08  -0.03     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   1    -0.00  -0.00   0.06    -0.00  -0.01   0.09    -0.00  -0.00   0.02
    15   1    -0.00  -0.03   0.19     0.00  -0.01   0.07     0.00  -0.00   0.02
    16   1     0.34   0.34  -0.15    -0.03  -0.03   0.01    -0.00  -0.00   0.00
    17   1    -0.23   0.70   0.31    -0.02   0.05   0.02    -0.00   0.01   0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Molecular mass:    98.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   331.66288 924.196891179.12879
           X            0.99943  -0.03343   0.00480
           Y            0.03344   0.99944  -0.00209
           Z           -0.00472   0.00225   0.99999
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.26115     0.09372     0.07346
 Rotational constants (GHZ):           5.44149     1.95277     1.53057
 Zero-point vibrational energy     390822.0 (Joules/Mol)
                                   93.40870 (Kcal/Mol)
 Warning -- explicit consideration of   9 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    123.68   247.59   347.64   405.47   594.38
          (Kelvin)            664.11   703.94   776.35   842.94  1048.19
                             1169.75  1218.35  1284.83  1350.94  1371.26
                             1440.27  1449.96  1561.95  1654.45  1671.44
                             1688.72  1761.43  1806.29  1826.57  1879.39
                             1902.36  1942.05  1995.36  2038.53  2086.46
                             2091.90  2152.84  2157.78  2165.51  2612.95
                             4313.72  4338.02  4348.34  4356.35  4364.94
                             4434.26  4444.17  4445.17  4463.70  4465.87
 
 Zero-point correction=                           0.148856 (Hartree/Particle)
 Thermal correction to Energy=                    0.155806
 Thermal correction to Enthalpy=                  0.156750
 Thermal correction to Gibbs Free Energy=         0.117972
 Sum of electronic and zero-point Energies=           -309.886564
 Sum of electronic and thermal Energies=              -309.879614
 Sum of electronic and thermal Enthalpies=            -309.878670
 Sum of electronic and thermal Free Energies=         -309.917447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   97.770             26.230             81.615
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.660
 Rotational               0.889              2.981             27.382
 Vibrational             95.992             20.268             14.572
 Vibration     1          0.601              1.959              3.750
 Vibration     2          0.626              1.877              2.413
 Vibration     3          0.658              1.777              1.791
 Vibration     4          0.681              1.707              1.523
 Vibration     5          0.777              1.442              0.916
 Vibration     6          0.819              1.335              0.762
 Vibration     7          0.845              1.274              0.686
 Vibration     8          0.895              1.163              0.566
 Vibration     9          0.943              1.062              0.475
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.545147D-54        -54.263487       -124.946295
 Total V=0       0.160535D+15         14.205569         32.709531
 Vib (Bot)       0.663556D-67        -67.178123       -154.683344
 Vib (Bot)    1  0.239341D+01          0.379017          0.872718
 Vib (Bot)    2  0.117031D+01          0.068300          0.157266
 Vib (Bot)    3  0.810930D+00         -0.091017         -0.209574
 Vib (Bot)    4  0.681569D+00         -0.166490         -0.383358
 Vib (Bot)    5  0.427264D+00         -0.369303         -0.850353
 Vib (Bot)    6  0.368006D+00         -0.434145         -0.999655
 Vib (Bot)    7  0.339106D+00         -0.469665         -1.081443
 Vib (Bot)    8  0.293737D+00         -0.532041         -1.225071
 Vib (Bot)    9  0.258564D+00         -0.587432         -1.352613
 Vib (V=0)       0.195404D+02          1.290933          2.972483
 Vib (V=0)    1  0.294508D+01          0.469097          1.080135
 Vib (V=0)    2  0.177264D+01          0.248621          0.572471
 Vib (V=0)    3  0.145268D+01          0.162171          0.373413
 Vib (V=0)    4  0.134530D+01          0.128820          0.296619
 Vib (V=0)    5  0.115769D+01          0.063592          0.146426
 Vib (V=0)    6  0.112083D+01          0.049539          0.114069
 Vib (V=0)    7  0.110415D+01          0.043027          0.099073
 Vib (V=0)    8  0.107990D+01          0.033383          0.076866
 Vib (V=0)    9  0.106290D+01          0.026492          0.061000
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.381750D+08          7.581779         17.457692
 Rotational      0.215207D+06          5.332857         12.279357
 
                                                          ROA calculations.
                                                             IR Spectrum
 
 3333333332                                               1          11111 11111111111  1  11                                        
 1100000009                                               8          55444 43333222111  0  0099 8 88   7     55 4 4 4    2 2 1       
 0098832219                                               1          00955 18520752765  8  0053 9 41   2     84 8 6 1    8 4 7   8   
 4209248258                                               6          50640 77026054420  6  8139 3 73   9     60 9 2 3    2 2 2   6   
 
 XXXXXXXXXX                                               X          XXXXX XXXXXXXXXXX  X  XXXX X XX   X     XX X X X    X X X   X   
    X XX                                                  X                         X                                                
    X X                                                   X                         X                                                
    X                                                     X                         X                                                
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007445    0.000005124   -0.000000213
      2        6          -0.000000856   -0.000063105   -0.000010563
      3        6          -0.000009791    0.000018613    0.000004756
      4        6           0.000014744   -0.000002382   -0.000007730
      5        6          -0.000004478    0.000013509    0.000009179
      6        1           0.000001435   -0.000000762    0.000002438
      7        1          -0.000002099   -0.000002148    0.000002827
      8        8          -0.000000773   -0.000002159   -0.000001080
      9        1           0.000002619    0.000001002   -0.000003367
     10        1           0.000002731    0.000003498   -0.000001570
     11        1          -0.000004277    0.000003381    0.000003465
     12        1          -0.000002748    0.000009876    0.000004963
     13        6           0.000001156    0.000004970    0.000003764
     14        1           0.000005025    0.000001037   -0.000000318
     15        1          -0.000004602    0.000002223   -0.000004485
     16        1          -0.000006729    0.000004905    0.000000035
     17        1           0.000001197    0.000002417   -0.000002102
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063105 RMS     0.000010525
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.875724D+02  0.925620D-01  0.362495D+00
      2   0.925620D-01  0.758931D+02 -0.476325D+00
      3   0.362495D+00 -0.476325D+00  0.616205D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.183511D+01 -0.810599D+00 -0.425231D+01
      2   0.713230D+00  0.323767D+00  0.213569D+02
      3   0.678511D+01 -0.140492D+02 -0.681461D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.340529D+02 -0.211325D+02 -0.565007D+00
      2  -0.181626D+02  0.198792D+02 -0.457308D+01
      3  -0.158904D+02  0.125324D+01  0.513809D+01
      4  -0.100677D+02  0.278092D+02  0.189213D+01
      5   0.403401D+01  0.140278D+00  0.471104D+02
      6  -0.120716D+01 -0.320669D+01  0.100622D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.283371D+01 -0.107173D+01  0.100770D+01 -0.548949D-01 -0.441072D+01
      2  -0.107173D+01 -0.346921D+01  0.857571D-01 -0.441072D+01 -0.442061D+00
      3   0.100770D+01  0.857571D-01 -0.175160D+01  0.231535D+00  0.239374D+01
                 6             7             8             9            10 
      1   0.231535D+00  0.168777D+01  0.485926D+00 -0.218530D+01 -0.132265D+01
      2   0.239374D+01  0.485926D+00  0.340913D+01 -0.100837D+01  0.254786D+01
      3  -0.459941D+00 -0.218530D+01 -0.100837D+01 -0.665311D+01 -0.128780D+01
                11            12            13            14            15 
      1   0.254786D+01 -0.128780D+01  0.221667D+01  0.306303D+01  0.321697D+00
      2   0.364411D+01  0.294710D+00  0.306303D+01 -0.297676D+01 -0.155749D+01
      3   0.294710D+00 -0.118352D-02  0.321697D+00 -0.155749D+01 -0.926022D+00
                16            17            18            19            20 
      1  -0.235845D+01  0.389126D+00  0.751704D+00 -0.169545D+01 -0.190122D+01
      2   0.389126D+00 -0.190596D+01 -0.967445D+00 -0.190122D+01  0.455351D+01
      3   0.751704D+00 -0.967445D+00  0.974383D+01 -0.113658D+01  0.554990D+00
                21            22            23            24            25 
      1  -0.113658D+01 -0.176769D+01  0.241511D+01  0.732156D+00 -0.131963D+01
      2   0.554990D+00  0.241511D+01  0.185179D+01 -0.735678D+00  0.161671D+01
      3   0.222987D+01  0.732156D+00 -0.735678D+00 -0.219853D+01  0.257200D+01
                26            27            28            29            30 
      1   0.161671D+01  0.257200D+01  0.485197D+01  0.529000D+01 -0.609909D-02
      2  -0.189355D+00 -0.325948D+01  0.529000D+01 -0.391775D+01 -0.248713D+00
      3  -0.325948D+01  0.355900D+01 -0.609909D-02 -0.248713D+00 -0.455901D+00
                31            32            33            34            35 
      1   0.354150D+01  0.135157D+00 -0.541941D+00  0.687971D+00 -0.869677D+00
      2   0.135157D+00 -0.334784D+01 -0.244130D+00 -0.869677D+00 -0.358639D+00
      3  -0.541941D+00 -0.244130D+00 -0.299515D-01 -0.447633D-01  0.114822D+00
                36            37            38            39            40 
      1  -0.447633D-01  0.274666D+00 -0.357148D+01  0.113875D+00 -0.240029D+01
      2   0.114822D+00 -0.357148D+01  0.140811D+01  0.559638D+00 -0.466925D+00
      3   0.129081D-01  0.113875D+00  0.559638D+00 -0.347173D+00  0.455287D+00
                41            42            43            44            45 
      1  -0.466925D+00  0.455287D+00 -0.989287D+00  0.133412D+01 -0.844711D+00
      2   0.523887D+01  0.168360D+01  0.133412D+01  0.246010D+01  0.342971D+01
      3   0.168360D+01  0.279075D+01 -0.844711D+00  0.342971D+01 -0.436318D+01
                46            47            48            49            50 
      1  -0.836663D+00  0.114713D+01 -0.129235D+01  0.784523D+00 -0.826220D+00
      2   0.114713D+01 -0.153377D+01  0.628103D+00 -0.826220D+00  0.203206D+01
      3  -0.129235D+01  0.628103D+00 -0.122329D+01  0.360895D+00 -0.156307D+01
                51            52            53            54            55 
      1   0.360895D+00 -0.229213D+01  0.657576D+00 -0.200191D+01 -0.380595D+01
      2  -0.156307D+01  0.657576D+00 -0.314582D+01  0.314528D+01  0.259176D+01
      3   0.180054D+01 -0.200191D+01  0.314528D+01 -0.631982D+01  0.167465D+01
                56            57            58            59            60 
      1   0.259176D+01  0.167465D+01  0.205802D+01 -0.210154D+01 -0.789005D+00
      2  -0.330389D+01 -0.105966D+01 -0.210154D+01  0.390346D+01  0.160578D+01
      3  -0.105966D+01 -0.148180D+01 -0.789005D+00  0.160578D+01  0.156035D+01
                61            62            63            64            65 
      1   0.278012D+01 -0.176668D+01 -0.187600D+01 -0.151968D+02 -0.455033D+01
      2  -0.176668D+01  0.277997D+01  0.244335D+01 -0.455033D+01 -0.128040D+01
      3  -0.187600D+01  0.244335D+01  0.214521D+01  0.389300D+00  0.248726D-01
                66            67            68            69            70 
      1   0.389300D+00 -0.348076D+01 -0.428260D+01  0.124034D+00  0.123782D-01
      2   0.248726D-01 -0.428260D+01 -0.266500D+01  0.117288D+00  0.254514D+00
      3  -0.157864D+01  0.124034D+00  0.117288D+00 -0.672928D+00 -0.373226D+01
                71            72            73            74            75 
      1   0.254514D+00 -0.373226D+01 -0.274317D+00 -0.829195D+00 -0.689612D+00
      2   0.162287D+00 -0.142325D+01 -0.829195D+00 -0.104571D+01 -0.291184D+00
      3  -0.142325D+01  0.299121D+00 -0.689612D+00 -0.291184D+00 -0.554527D-01
                76            77            78            79            80 
      1  -0.142554D+01 -0.877057D-01 -0.657051D-01 -0.902760D+00 -0.283535D+00
      2  -0.877057D-01 -0.765926D+01 -0.237995D+01 -0.283535D+00 -0.398512D+01
      3  -0.657051D-01 -0.237995D+01 -0.198422D+01  0.186269D+00 -0.261176D+01
                81            82            83            84            85 
      1   0.186269D+00  0.985292D+00 -0.105166D+00  0.104822D+01 -0.174436D+00
      2  -0.261176D+01 -0.105166D+00  0.112338D+00 -0.293256D+00  0.554897D+00
      3  -0.176497D+01  0.104822D+01 -0.293256D+00  0.850965D+00 -0.304210D+00
                86            87            88            89            90 
      1   0.554897D+00 -0.304210D+00  0.265118D+01 -0.562471D+00  0.837904D+00
      2  -0.239382D+01  0.146974D+01 -0.562471D+00  0.267791D+01 -0.302894D+01
      3   0.146974D+01 -0.159344D+01  0.837904D+00 -0.302894D+01  0.622961D+01
                91            92            93            94            95 
      1   0.253138D+01  0.247615D+01 -0.824819D+00  0.225507D+01  0.286233D+01
      2   0.247615D+01  0.332649D+01 -0.528346D+00  0.286233D+01  0.672213D+01
      3  -0.824819D+00 -0.528346D+00  0.895856D+00 -0.521300D+00 -0.151873D+01
                96            97            98            99           100 
      1  -0.521300D+00 -0.161225D+01 -0.107314D+01  0.110428D+01  0.464595D+00
      2  -0.151873D+01 -0.107314D+01 -0.281102D+01  0.161347D+01  0.323283D+00
      3   0.121485D+01  0.110428D+01  0.161347D+01 -0.563689D+00  0.118391D+01
               101           102           103           104           105 
      1   0.323283D+00  0.118391D+01  0.595749D-01  0.804249D+00  0.828832D-01
      2   0.686894D+00  0.377575D+00  0.804249D+00  0.689840D+00  0.797823D+00
      3   0.377575D+00  0.121975D+01  0.828832D-01  0.797823D+00  0.169108D+00
               106           107           108           109           110 
      1   0.213743D+01  0.116104D+00  0.165597D+01  0.108523D+01 -0.322235D+01
      2   0.116104D+00  0.156590D+01  0.187868D+01 -0.322235D+01 -0.357701D+01
      3   0.165597D+01  0.187868D+01  0.764531D+01  0.226794D+01 -0.168744D+00
               111           112           113           114           115 
      1   0.226794D+01 -0.334760D+01 -0.474332D+01 -0.154492D+00  0.288377D+01
      2  -0.168744D+00 -0.474332D+01  0.308814D+01  0.280545D+01 -0.373164D+00
      3  -0.445428D+00 -0.154492D+00  0.280545D+01  0.997962D+00 -0.139040D+01
               116           117           118           119           120 
      1  -0.373164D+00 -0.139040D+01  0.822379D+00 -0.301749D+00 -0.113557D+01
      2   0.279606D+01  0.116960D+01 -0.301749D+00 -0.242039D+00 -0.251712D-01
      3   0.116960D+01 -0.703431D+01 -0.113557D+01 -0.251712D-01  0.323414D+00
               121           122           123           124           125 
      1  -0.380451D+00 -0.254031D+00 -0.797211D-02 -0.171247D+01 -0.186144D-01
      2  -0.254031D+00  0.476060D+00 -0.868915D+00 -0.186144D-01 -0.122871D+01
      3  -0.797211D-02 -0.868915D+00  0.550163D+00  0.677655D+00  0.255059D+00
               126           127           128           129           130 
      1   0.677655D+00  0.878641D-01  0.199527D+00  0.688485D+00  0.166039D+00
      2   0.255059D+00  0.199527D+00  0.227459D+00 -0.352905D-02  0.774338D+00
      3  -0.965959D+01  0.688485D+00 -0.352905D-02  0.125725D+00 -0.942059D-01
               131           132           133           134           135 
      1   0.774338D+00 -0.942059D-01  0.254635D+01 -0.394239D+00  0.188949D+01
      2  -0.656506D+00  0.655891D+00 -0.394239D+00  0.121796D+01 -0.866689D+00
      3   0.655891D+00 -0.535313D+00  0.188949D+01 -0.866689D+00  0.779757D+01
               136           137           138           139           140 
      1   0.683052D+01  0.258874D+01 -0.114393D+01  0.518344D+01  0.296427D+01
      2   0.258874D+01  0.228685D+01 -0.449828D+00  0.296427D+01  0.271970D+01
      3  -0.114393D+01 -0.449828D+00  0.110433D+01 -0.559190D+00 -0.879725D+00
               141           142           143           144           145 
      1  -0.559190D+00 -0.224560D+01 -0.553845D+00  0.133240D+01  0.236419D+01
      2  -0.879725D+00 -0.553845D+00 -0.117157D+01  0.561751D+00 -0.161125D+01
      3   0.989891D+00  0.133240D+01  0.561751D+00 -0.342159D+00 -0.857301D+00
               146           147           148           149           150 
      1  -0.161125D+01 -0.857301D+00 -0.323318D+01  0.359968D+01  0.729535D+00
      2   0.212401D+01  0.542780D+00  0.359968D+01 -0.658080D+01 -0.178161D+01
      3   0.542780D+00  0.590549D+00  0.729535D+00 -0.178161D+01 -0.167326D+01
               151           152           153 
      1  -0.195440D+01  0.104130D+01  0.106767D+01
      2   0.104130D+01 -0.227313D+01 -0.144580D+01
      3   0.106767D+01 -0.144580D+01 -0.731751D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222315D+01 -0.107714D+01  0.196184D+01 -0.778263D-01 -0.587290D+01
      2   0.119212D+01  0.234131D+01  0.444929D+00  0.259437D+01  0.323312D+01
      3   0.107646D+02 -0.161511D+00  0.143859D+01  0.678036D+01 -0.551684D+01
                 6             7             8             9            10 
      1  -0.839645D+00  0.156965D+01  0.583736D+01  0.818306D+01  0.482354D+00
      2  -0.866823D+00 -0.602108D+01 -0.260695D+01 -0.386657D+01 -0.427434D+01
      3  -0.147243D+01  0.140335D+01 -0.260484D+01 -0.243036D+01 -0.596836D+01
                11            12            13            14            15 
      1  -0.580306D+00 -0.154527D+00 -0.198015D+01  0.750702D+00 -0.188853D+01
      2   0.139246D+01  0.216320D+01  0.506332D+00 -0.134162D+01 -0.839702D+00
      3  -0.907904D+01 -0.220798D+00 -0.242732D+01  0.375337D+01  0.288388D+01
                16            17            18            19            20 
      1   0.621664D+00  0.449498D+01  0.881436D+00  0.445810D+01 -0.226614D+01
      2  -0.557253D+01  0.551987D+00  0.101915D+02  0.236224D+01 -0.192334D+01
      3  -0.117388D+01  0.299106D+01  0.147832D+01 -0.115891D+02  0.320416D+01
                21            22            23            24            25 
      1  -0.450910D+01 -0.208115D+01  0.247703D+01 -0.132246D+01 -0.147455D+01
      2  -0.193236D+01 -0.231254D+01  0.160298D+01  0.413422D+01 -0.654927D+01
      3  -0.182641D+01  0.706089D+01  0.468117D+01  0.912829D+00 -0.181206D+01
                26            27            28            29            30 
      1   0.983109D+01 -0.531077D+01 -0.535181D+01 -0.178181D+00  0.170596D+01
      2   0.592726D+01 -0.453251D+01 -0.199109D+01 -0.144681D+01 -0.823633D+01
      3   0.235868D+01 -0.807914D+00  0.479935D+01 -0.411673D+01  0.215851D+00
                31            32            33            34            35 
      1  -0.193828D+01 -0.392582D+00  0.467361D+01 -0.482139D+01  0.229072D+02
      2  -0.585153D+00 -0.610691D+00 -0.171607D+01 -0.150236D+02  0.413620D+01
      3   0.236572D+01 -0.177853D+01 -0.270108D+00 -0.164094D+00 -0.853332D+00
                36            37            38            39            40 
      1  -0.592936D+00  0.105975D+01  0.197205D+01  0.117206D+01  0.230434D+01
      2   0.476092D+00 -0.720788D-01  0.194117D+00  0.392011D+01 -0.372106D+00
      3  -0.154501D+00 -0.308512D+01  0.290904D+01 -0.182635D+00  0.886345D+01
                41            42            43            44            45 
      1   0.681365D+01  0.169531D+01 -0.440497D+01  0.721146D+01 -0.614465D+01
      2   0.312926D+00 -0.217613D+01 -0.471639D+01 -0.787313D+00 -0.993325D-01
      3   0.546907D+01 -0.186231D+01  0.129079D+01 -0.320837D+01  0.193909D+01
                46            47            48            49            50 
      1   0.109795D+01 -0.242064D+01  0.284661D+01 -0.209112D+01  0.573318D+00
      2   0.155549D+01 -0.840636D+00  0.289613D+01 -0.449193D+00  0.172667D+01
      3   0.102353D+01 -0.131812D+01 -0.883928D+00  0.189273D+01  0.495198D+00
                51            52            53            54            55 
      1  -0.324791D+01  0.314706D+01 -0.497733D+01  0.106639D+02 -0.240631D+01
      2  -0.232956D+01  0.402972D+00 -0.510653D+01  0.873393D+01 -0.194957D+01
      3  -0.914514D+00 -0.315542D+01 -0.318437D+01  0.675053D+00 -0.263759D+01
                56            57            58            59            60 
      1   0.438951D+01  0.345392D+01  0.274140D+01 -0.302575D+01 -0.401132D+01
      2   0.256752D+01  0.372193D+01  0.117102D+01 -0.303838D+01 -0.295707D+01
      3  -0.263386D+01  0.104135D+01  0.297721D+01  0.113212D+01  0.287908D+00
                61            62            63            64            65 
      1   0.362419D+01 -0.386511D+01 -0.455094D+01  0.274349D+01 -0.357393D+00
      2   0.140695D+01 -0.401118D+01 -0.371400D+01  0.490599D+00  0.668945D-01
      3   0.300410D+01  0.184621D+01  0.104465D+00  0.194381D+01 -0.129432D+02
                66            67            68            69            70 
      1  -0.309583D+01  0.556251D+00  0.650024D+00 -0.380334D+01  0.182504D+01
      2   0.128409D+02  0.753807D+00  0.373211D+00  0.413758D+01  0.511695D+01
      3   0.286784D+00 -0.204108D+01 -0.712115D+01  0.338973D+00  0.107162D+01
                71            72            73            74            75 
      1  -0.516471D+01  0.614135D+00  0.793519D+00 -0.865125D+00 -0.421792D+00
      2  -0.511652D+00 -0.581300D+00  0.108857D+01 -0.454760D+00  0.581385D+00
      3   0.107279D+01 -0.852052D+00  0.570710D+00 -0.163738D+01  0.454559D+00
                76            77            78            79            80 
      1   0.144387D+01 -0.561995D+01 -0.566732D+01  0.661406D+00 -0.391435D+01
      2  -0.545080D-01 -0.692701D+00  0.255657D+00 -0.158930D+01 -0.160835D+00
      3   0.450479D+01 -0.350569D+00  0.122295D+00  0.255396D+01  0.243100D+00
                81            82            83            84            85 
      1  -0.390981D+01 -0.420443D+00  0.939652D-01  0.425647D+00 -0.678224D-01
      2   0.344154D-01 -0.225842D+01  0.125903D+00  0.650814D+00  0.192524D+00
      3  -0.406517D+00 -0.171104D+01 -0.177270D+01 -0.613662D+00  0.119222D+01
                86            87            88            89            90 
      1   0.211210D+01 -0.395259D+01  0.359722D+01 -0.422780D+01  0.106450D+02
      2  -0.755140D-01  0.325279D+00 -0.196323D+01 -0.412865D+00 -0.394039D+00
      3  -0.875865D+00  0.616263D+00 -0.420028D+01  0.110441D+01 -0.160754D+01
                91            92            93            94            95 
      1   0.128916D+01  0.898659D+00 -0.232307D+01  0.116052D+01  0.261127D+01
      2  -0.951826D+00 -0.118335D+01  0.193877D+01 -0.917083D+00 -0.229541D+01
      3   0.308265D+01 -0.509593D+00 -0.939855D+00  0.463899D+01 -0.104925D+01
                96            97            98            99           100 
      1  -0.409569D+01 -0.161356D+01 -0.126160D+01  0.156999D+01 -0.135710D+01
      2   0.209063D+01  0.118545D+00  0.184260D+01 -0.125940D+01 -0.425632D-01
      3   0.177696D+00 -0.275709D+01  0.132047D+01  0.625715D+00  0.238198D+00
               101           102           103           104           105 
      1   0.753117D+00 -0.185324D+01  0.111077D-01 -0.862350D+00 -0.148325D+01
      2  -0.135649D-03  0.158739D+01 -0.782921D-01 -0.200755D+00  0.741306D-03
      3  -0.156394D+01  0.147687D+01  0.242200D+00  0.102147D+01 -0.284793D+00
               106           107           108           109           110 
      1  -0.256894D+01  0.739079D+00 -0.112786D+02 -0.134536D+00 -0.125622D+01
      2  -0.261443D+01  0.129070D+01  0.475793D+01  0.910892D+01 -0.455409D+00
      3   0.369559D+01 -0.157267D+01  0.154959D+01  0.947981D+01  0.107429D+02
               111           112           113           114           115 
      1  -0.186689D+00 -0.154929D+01  0.243733D+01 -0.237229D+00 -0.186915D+01
      2  -0.579814D+00 -0.346652D+00  0.859246D+01  0.259785D+01 -0.773326D+01
      3  -0.855689D+00  0.202821D+02 -0.717390D+01 -0.808533D+01 -0.272311D+00
               116           117           118           119           120 
      1   0.285147D+01 -0.339137D+01  0.944593D-01  0.391139D+00  0.268620D+00
      2   0.359554D+01 -0.181480D+02 -0.558996D+00 -0.450915D+00  0.120307D+01
      3  -0.821473D+01 -0.258854D+01  0.943973D+00 -0.442901D+00  0.196371D+00
               121           122           123           124           125 
      1   0.623086D+00 -0.664638D+00 -0.380979D+00 -0.190003D+00  0.357880D+01
      2   0.186729D+00 -0.124921D+01  0.419232D+00 -0.372002D+01  0.437045D+00
      3   0.224975D+01 -0.947979D+00  0.134389D+01 -0.116281D+00  0.180933D+01
               126           127           128           129           130 
      1  -0.944062D+00  0.556425D+00  0.154798D-01  0.285353D+00  0.662698D-01
      2  -0.102738D+02  0.205466D+01 -0.227214D+00  0.191088D+01 -0.140334D+00
      3  -0.418908D+00 -0.451359D+00 -0.152496D+01 -0.255125D+00 -0.953587D+00
               131           132           133           134           135 
      1  -0.134552D-01 -0.109253D+01  0.789568D+00  0.294162D+01  0.417936D+01
      2   0.136868D+01 -0.167620D+01  0.875790D+00 -0.215127D+01  0.216891D+02
      3   0.123727D+01 -0.140625D+01 -0.543746D+00 -0.359280D+01  0.155952D+01
               136           137           138           139           140 
      1   0.721749D-01 -0.401857D-01 -0.608774D+00 -0.627153D-02 -0.432473D+00
      2  -0.327539D+01 -0.158826D+01  0.505913D+01 -0.162376D+01 -0.272610D+01
      3  -0.102006D+02 -0.104506D+02  0.197581D+01 -0.846993D+01 -0.103944D+02
               141           142           143           144           145 
      1  -0.133120D+01  0.409924D+00  0.109815D+01  0.194002D+00 -0.754033D+00
      2   0.428331D+01  0.250000D+01  0.163310D+01 -0.112218D+01 -0.229784D+01
      3   0.296431D+01  0.214489D+01  0.413369D+01 -0.192165D+01  0.275126D+01
               146           147           148           149           150 
      1   0.527426D+00  0.103301D+01  0.704573D+00 -0.130287D+01 -0.382668D+01
      2   0.164417D+01  0.264165D+01  0.147484D+01 -0.497966D+01 -0.568293D+01
      3  -0.665198D+01 -0.106991D+01 -0.536796D+01  0.174639D+02  0.482921D+01
               151           152           153 
      1   0.742119D+00 -0.129835D+00 -0.104587D+01
      2   0.129143D+01 -0.371089D+01 -0.207323D+01
      3  -0.969132D+00  0.635137D+01  0.325623D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.235907D+01  0.684511D+01  0.214147D+01  0.424447D+01 -0.434771D+01
      2  -0.204310D+01 -0.135607D+02  0.177844D+01 -0.117016D+02 -0.429393D+01
      3  -0.315972D+00  0.671559D+01 -0.391992D+01  0.745709D+01  0.864164D+01
      4   0.132645D+01 -0.106786D+02  0.215485D+01 -0.104529D+02 -0.114048D+02
      5   0.281966D+01  0.335685D+01 -0.291169D+01  0.302954D+01  0.436356D+01
      6   0.388462D+01  0.194070D+01 -0.510176D+01  0.292640D+01  0.116487D+02
                 6             7             8             9            10 
      1  -0.325521D+01  0.286715D+01 -0.320484D+01  0.610782D+01 -0.139100D+02
      2   0.867840D+01  0.352035D+01  0.112188D+02  0.250395D+01  0.468245D+01
      3  -0.542319D+01 -0.638750D+01 -0.801392D+01 -0.861177D+01  0.922758D+01
      4   0.466856D+01  0.236079D+01  0.800204D+01 -0.966264D+01  0.713473D+01
      5  -0.193892D+01 -0.308384D+01 -0.487658D+01 -0.103791D+02 -0.766875D+01
      6  -0.128074D+01 -0.692093D+01 -0.414352D+01 -0.155594D+02 -0.564909D-01
                11            12            13            14            15 
      1   0.614494D+01 -0.443819D+01  0.962499D+01  0.114008D+02  0.187186D+01
      2  -0.730403D+00  0.250744D+01 -0.376264D+01 -0.616941D+01 -0.226960D+01
      3  -0.541454D+01  0.193075D+01 -0.586234D+01 -0.523138D+01  0.397733D+00
      4   0.117064D+01  0.160440D+01  0.783084D+01 -0.490100D+01 -0.200099D+01
      5   0.199819D+01 -0.185724D+01  0.114694D+01 -0.249240D+01 -0.143554D+01
      6  -0.243897D+00  0.950373D+00 -0.125573D+01 -0.761657D+00  0.833109D+00
                16            17            18            19            20 
      1  -0.978306D+01  0.253763D+01  0.856697D+01  0.386538D+00 -0.461153D+01
      2   0.309539D+01 -0.326361D+01  0.921977D+01 -0.189185D+01  0.876780D+01
      3   0.668767D+01  0.725977D+00 -0.177867D+02  0.150531D+01 -0.415627D+01
      4   0.101166D+01 -0.312341D+01 -0.135271D+01  0.346487D+01 -0.142875D+02
      5   0.341336D+01 -0.135702D+01  0.229388D+02  0.314856D+01 -0.505756D+01
      6  -0.246939D+00  0.456211D+01 -0.497703D+00 -0.518445D+01  0.347025D+01
                21            22            23            24            25 
      1   0.228367D+01  0.390653D+01 -0.628353D+01 -0.111005D+01  0.320053D+00
      2   0.238229D+01  0.386218D+00  0.119348D+02 -0.286681D+01  0.321281D+01
      3  -0.466595D+01 -0.429274D+01 -0.565127D+01  0.397686D+01 -0.353286D+01
      4  -0.393893D+01 -0.203814D+01  0.818229D+01  0.193396D+01 -0.645860D+01
      5  -0.711160D+01 -0.455676D+01  0.244801D+01  0.787806D+01 -0.744843D+01
      6   0.815212D+01  0.400658D+01 -0.433696D+01 -0.499408D+01  0.911791D+01
                26            27            28            29            30 
      1  -0.528525D+01  0.767110D+01 -0.434955D+02 -0.876900D+01 -0.107177D+00
      2  -0.313215D+01 -0.418955D+01  0.232560D+02  0.156964D+00 -0.166735D+00
      3   0.841740D+01 -0.348155D+01  0.202396D+02  0.861203D+01  0.273912D+00
      4  -0.152279D+00  0.170109D+02 -0.248148D+02 -0.141240D+02  0.114967D+01
      5   0.123206D+02 -0.707646D+01  0.201482D+01  0.136234D+01 -0.115224D+02
      6  -0.156389D+02  0.121987D+02 -0.130949D+01 -0.641254D+00 -0.354771D+01
                31            32            33            34            35 
      1  -0.182605D+02 -0.477401D+00 -0.182626D-01  0.771238D+00  0.580390D+00
      2   0.116726D+02 -0.495043D+01 -0.522835D+00 -0.100780D+01  0.820444D+00
      3   0.658785D+01  0.542783D+01  0.541098D+00  0.236567D+00 -0.140083D+01
      4  -0.704255D+01 -0.257696D+00  0.174809D+00  0.202532D+01  0.943646D+00
      5   0.196460D+01 -0.129934D+00 -0.300528D+01  0.297668D+01 -0.137816D+01
      6  -0.151965D+01  0.199555D+01 -0.368224D+01 -0.121663D+01  0.498183D+01
                36            37            38            39            40 
      1  -0.100749D+02  0.176629D+01 -0.389905D+00  0.257081D+01 -0.111435D+02
      2  -0.157766D+01  0.301866D+01 -0.249458D+01 -0.251286D+01  0.573006D+01
      3   0.116526D+02 -0.478495D+01  0.288449D+01 -0.579566D-01  0.541342D+01
      4  -0.377917D+01 -0.171510D+00  0.509607D+01 -0.411242D+00 -0.935386D+00
      5   0.164225D+01  0.363512D+00 -0.737405D+00  0.223512D+01 -0.292560D+00
      6  -0.687844D+00  0.166028D+01 -0.283271D+01  0.311431D+00 -0.151290D+01
                41            42            43            44            45 
      1   0.886999D+01  0.111668D+01  0.969286D+01 -0.907428D+00  0.142759D+02
      2  -0.104646D+02 -0.620992D+01 -0.499491D+01 -0.555034D+01 -0.877931D+01
      3   0.159462D+01  0.509323D+01 -0.469795D+01  0.645777D+01 -0.549654D+01
      4  -0.551117D+01 -0.134049D+01  0.232739D+01 -0.183510D+01  0.353612D+01
      5  -0.134506D+01 -0.184119D+01 -0.264006D+01  0.152411D+01 -0.386937D+01
      6  -0.114067D+02 -0.862645D+01  0.553864D+01 -0.153462D+02  0.110010D+02
                46            47            48            49            50 
      1   0.953171D+00  0.282995D+00  0.128124D+01  0.994969D+00 -0.711269D+01
      2  -0.114153D+01 -0.172162D+01 -0.180202D+01 -0.227265D+01  0.753793D+01
      3   0.188363D+00  0.143862D+01  0.520782D+00  0.127768D+01 -0.425238D+00
      4  -0.606465D+01  0.926891D+01 -0.526313D+01  0.518531D+01 -0.791245D+01
      5   0.570107D+01 -0.313947D+01  0.814183D+01 -0.111220D+01  0.402916D+01
      6  -0.458953D+01  0.316788D+01 -0.447074D+01  0.298299D+01 -0.764153D+01
                51            52            53            54            55 
      1   0.496267D+01  0.235473D+01  0.950042D+01 -0.124200D+02  0.810332D+01
      2  -0.419123D+01 -0.331157D+01 -0.583123D+01 -0.206313D+01  0.732179D-01
      3  -0.771440D+00  0.956842D+00 -0.366919D+01  0.144831D+02 -0.817654D+01
      4   0.505369D+01 -0.749592D+01  0.103669D+02 -0.129475D+02 -0.171221D+02
      5  -0.427495D+01  0.919686D+01 -0.944486D+01  0.173358D+02 -0.862319D+01
      6   0.100620D+02 -0.720596D+01  0.164965D+02 -0.229215D+02  0.682078D+01
                56            57            58            59            60 
      1  -0.478470D+00 -0.223570D+01  0.749077D+00 -0.726311D+01 -0.226837D+01
      2  -0.636235D+01 -0.204400D+00 -0.613764D+01  0.147669D+02  0.499795D+01
      3   0.684082D+01  0.244010D+01  0.538856D+01 -0.750375D+01 -0.272957D+01
      4   0.191582D+02  0.756843D+01  0.128517D+02 -0.171984D+02 -0.671082D+01
      5   0.583942D+01  0.809484D+01  0.419118D+01 -0.648530D+01 -0.554968D+01
      6  -0.618696D+01 -0.615310D+01 -0.506921D+01  0.912179D+01  0.867185D+01
                61            62            63            64            65 
      1  -0.282714D+01 -0.361618D+01 -0.425400D+01  0.883652D+02  0.168361D+02
      2   0.593430D-01  0.723664D+01  0.207754D+01 -0.476701D+02 -0.461551D+01
      3   0.276779D+01 -0.362046D+01  0.217646D+01 -0.406951D+02 -0.122206D+02
      4   0.111304D+02 -0.115374D+02 -0.109191D+02  0.378118D+02  0.272629D+02
      5   0.911194D+01 -0.902929D+01 -0.898030D+01 -0.327868D+01 -0.114827D+01
      6  -0.765474D+01  0.127784D+02  0.970184D+01  0.150328D+01  0.472610D+00
                66            67            68            69            70 
      1  -0.137222D+01  0.175043D+02  0.108594D+02  0.130218D+00 -0.194693D+01
      2   0.124568D+01 -0.572460D+01  0.110815D+01 -0.227022D+00  0.204384D+01
      3   0.126546D+00 -0.117797D+02 -0.119676D+02  0.968044D-01 -0.969118D-01
      4  -0.603936D+00  0.294094D+02  0.203909D+02 -0.325013D+00 -0.663249D+00
      5   0.217221D+02 -0.104459D+01 -0.650740D+00  0.674951D+01  0.250650D+02
      6   0.544413D+01  0.588889D+00 -0.862602D+00  0.641573D+01  0.576127D+01
                71            72            73            74            75 
      1   0.116768D+00  0.128320D+02  0.349716D+00 -0.183015D+01 -0.727637D+00
      2  -0.805035D-01 -0.103597D+02  0.132644D+01  0.321013D+01  0.660005D+00
      3  -0.362648D-01 -0.247228D+01 -0.167616D+01 -0.137999D+01  0.676325D-01
      4  -0.291857D+00  0.897143D+01  0.169145D+01  0.862957D+01  0.250567D+01
      5   0.745919D+01 -0.234597D+01  0.684197D+00  0.161903D+01  0.250056D+01
      6   0.717748D+01 -0.127159D+00  0.250038D+01  0.139171D+01  0.485445D+00
                76            77            78            79            80 
      1   0.194769D+01 -0.238542D+02 -0.737776D+01 -0.101219D+01 -0.104443D+02
      2  -0.851082D+00  0.342150D+02  0.939760D+01  0.633737D+00  0.121780D+02
      3  -0.109661D+01 -0.103609D+02 -0.201984D+01  0.378450D+00 -0.173367D+01
      4   0.591166D+01  0.183012D+01  0.868729D+00  0.363510D+01  0.123351D+01
      5   0.132586D+01  0.127395D+01  0.757476D+00  0.221669D+01  0.768970D+00
      6   0.198747D+00  0.156134D+02  0.113884D+02 -0.939459D+00  0.145420D+02
                81            82            83            84            85 
      1  -0.989609D+01 -0.233751D+00 -0.759343D-01 -0.858679D+00  0.233098D+01
      2   0.654787D+01 -0.144594D+01 -0.287162D+00  0.242242D+00 -0.235630D+01
      3   0.334822D+01  0.167969D+01  0.363096D+00  0.616437D+00  0.253232D-01
      4   0.971007D-01 -0.271856D+01  0.352753D+01 -0.343874D+01  0.231706D+01
      5   0.110708D+01  0.767423D+00 -0.199575D+01  0.457280D+01 -0.786420D+00
      6   0.991244D+01 -0.323127D+01  0.969295D+00 -0.172914D+01  0.109225D+01
                86            87            88            89            90 
      1  -0.102048D+02  0.546653D+01 -0.301762D+01  0.109176D+02 -0.180955D+02
      2   0.973227D+01 -0.388932D+01  0.390541D+00 -0.638863D+01  0.140081D+01
      3   0.472570D+00 -0.157721D+01  0.262708D+01 -0.452897D+01  0.166947D+02
      4  -0.169100D+01  0.930342D+00 -0.556040D+01  0.125466D+01 -0.231127D+01
      5   0.973964D+00 -0.330550D-01  0.441582D+01 -0.129095D+01  0.198000D+01
      6  -0.673002D+01  0.955803D+01 -0.425530D+01  0.147560D+02 -0.206364D+02
                91            92            93            94            95 
      1   0.156282D+01 -0.306052D+01 -0.412665D+00 -0.290595D+01 -0.150664D+02
      2   0.581019D+01  0.113183D+02 -0.156293D+01  0.103984D+02  0.321040D+02
      3  -0.737301D+01 -0.825774D+01  0.197559D+01 -0.749243D+01 -0.170375D+02
      4   0.129324D+02  0.166193D+02 -0.388435D+01  0.153990D+02  0.214884D+02
      5  -0.336559D+01 -0.233438D+01  0.357914D+01 -0.214474D+01 -0.394229D+01
      6  -0.390259D+01 -0.342822D+01  0.391611D+01 -0.323108D+01 -0.894165D+01
                96            97            98            99           100 
      1   0.315346D+01 -0.598292D+00  0.581699D+01 -0.434010D+01  0.527090D+00
      2  -0.646253D+01 -0.207786D+01 -0.103996D+02  0.360766D+01 -0.247521D+01
      3   0.330907D+01  0.267615D+01  0.458262D+01  0.732441D+00  0.194812D+01
      4  -0.479017D+01 -0.666140D+01 -0.849916D+01  0.596541D+01  0.251684D+01
      5   0.300375D+01  0.403818D+01  0.422156D+01 -0.271396D+01  0.401348D+01
      6   0.749752D+01  0.512536D+01  0.940909D+01 -0.505557D+01  0.305360D+01
               101           102           103           104           105 
      1  -0.952662D+00  0.384677D+00 -0.188180D+01 -0.309797D+01 -0.270114D+01
      2   0.213439D+01 -0.229734D+01  0.297826D+01  0.268389D+01  0.230179D+01
      3  -0.118173D+01  0.191266D+01 -0.109647D+01  0.414077D+00  0.399348D+00
      4   0.459101D+01  0.328901D+01  0.298726D+01  0.301540D+01  0.141862D+01
      5   0.119785D+01  0.754614D+01 -0.319497D+00  0.118832D+01 -0.351075D-01
      6   0.145359D+01  0.313301D+01  0.883908D+00  0.282294D+01  0.611399D+01
               106           107           108           109           110 
      1   0.543485D+00 -0.583136D+01 -0.148055D+02  0.362868D+01 -0.202976D+02
      2  -0.348712D+01  0.327285D+01 -0.776190D+01 -0.316643D+01  0.139433D+02
      3   0.294363D+01  0.255850D+01  0.225674D+02 -0.462247D+00  0.635430D+01
      4   0.519849D+01  0.381828D+01  0.727129D+01 -0.206552D+02 -0.198351D+02
      5   0.708902D+01  0.356883D+01  0.127322D+02  0.167897D+02 -0.120670D+01
      6   0.552598D+01  0.978955D+01  0.221504D+02 -0.220505D+01  0.268613D+01
               111           112           113           114           115 
      1   0.121072D+02 -0.258157D+02 -0.194958D+02  0.208457D+01  0.162421D+02
      2  -0.480834D+01  0.184463D+02  0.290155D+01 -0.513920D+01 -0.401062D+01
      3  -0.729886D+01  0.736941D+01  0.165943D+02  0.305463D+01 -0.122315D+02
      4  -0.135512D+01 -0.284545D+02  0.173296D+02  0.157784D+02 -0.183245D+01
      5  -0.290990D+01 -0.111462D+01  0.169500D+02  0.479291D+01 -0.680859D+01
      6   0.510462D+00  0.366072D+01 -0.519157D+01 -0.215249D+01  0.180160D+01
               116           117           118           119           120 
      1   0.120495D+01  0.197161D+01  0.366778D+01 -0.110498D+01 -0.264043D+01
      2  -0.509698D+01  0.502048D+01 -0.532436D+01  0.435685D+00  0.134837D+01
      3   0.389203D+01 -0.699209D+01  0.165658D+01  0.669296D+00  0.129206D+01
      4   0.158806D+02  0.537201D+01 -0.103684D+01  0.182826D+01 -0.137453D+00
      5   0.575104D+01 -0.327150D+02 -0.243888D+01 -0.485006D+00  0.794975D+01
      6  -0.299998D+01  0.702055D+01 -0.205802D+00 -0.182184D+00 -0.200580D-01
               121           122           123           124           125 
      1  -0.532942D+00 -0.490505D+01  0.849280D+00 -0.393946D+01  0.128543D+01
      2  -0.261976D-01  0.868310D+00  0.668499D+00  0.450352D+01 -0.899207D-01
      3   0.559140D+00  0.403675D+01 -0.151778D+01 -0.564063D+00 -0.119551D+01
      4   0.160022D+01  0.106288D+01 -0.189478D+01  0.885904D+00 -0.215967D+01
      5  -0.565268D+00 -0.242698D+01  0.123830D+01  0.668130D+01  0.621749D+00
      6  -0.346668D+00 -0.425789D+00  0.760168D+01 -0.777021D-01  0.433378D+01
               126           127           128           129           130 
      1  -0.192265D+02  0.218987D+01  0.127300D+01  0.444019D+01  0.184730D+01
      2  -0.177846D+02 -0.299968D+01 -0.814121D+00 -0.289642D+01 -0.159470D+01
      3   0.370111D+02  0.809818D+00 -0.458879D+00 -0.154377D+01 -0.252603D+00
      4   0.129479D+01  0.104492D+01  0.303076D+01 -0.123192D+01  0.581156D+01
      5  -0.216715D+02  0.355734D+01 -0.648515D+00  0.684012D+01 -0.685465D+00
      6  -0.950662D-02 -0.100106D+01 -0.597043D+00 -0.588198D+00  0.663977D+00
               131           132           133           134           135 
      1   0.893909D+00  0.541253D+00  0.113000D+02  0.251157D+00 -0.526311D+01
      2  -0.764177D-01 -0.701550D-01 -0.922577D+01  0.208682D-01 -0.132075D+02
      3  -0.817491D+00 -0.471098D+00 -0.207419D+01 -0.272026D+00  0.184706D+02
      4  -0.360214D+01  0.281117D+01 -0.370070D+01  0.637045D+01 -0.415844D+01
      5   0.262843D+01 -0.317584D+01  0.147087D+02 -0.453885D+01  0.410350D+02
      6  -0.111895D+01  0.538848D+01 -0.224492D+01  0.598398D+01 -0.938821D+01
               136           137           138           139           140 
      1   0.466882D+02  0.178354D+02 -0.753188D+01  0.305560D+02  0.145442D+02
      2  -0.245011D+02 -0.969116D+01  0.431451D+01 -0.155844D+02 -0.421071D+01
      3  -0.221871D+02 -0.814421D+01  0.321737D+01 -0.149717D+02 -0.103334D+02
      4   0.171193D+02  0.170027D+02 -0.298651D+01  0.210692D+02  0.184767D+02
      5  -0.847885D+01 -0.325012D+01  0.927619D+01 -0.463801D+01 -0.559497D+01
      6  -0.235693D+00 -0.834582D-02  0.224027D+00 -0.713304D+00 -0.396506D+00
               141           142           143           144           145 
      1  -0.359222D+01 -0.125948D+02 -0.312339D+01  0.538304D+01  0.138548D+02
      2   0.244656D+01  0.720890D+01  0.253072D+01 -0.500172D+01 -0.388924D+01
      3   0.114566D+01  0.538586D+01  0.592666D+00 -0.381322D+00 -0.996557D+01
      4  -0.556702D+01 -0.394692D+01 -0.709298D+01  0.377084D+01 -0.123666D+02
      5   0.754297D+01  0.107424D+02  0.435799D+01 -0.370758D+01 -0.564338D+01
      6   0.217709D+01  0.117161D+01  0.264858D+01 -0.189699D+01  0.249850D+01
               146           147           148           149           150 
      1  -0.752335D+01 -0.440135D+01 -0.132276D+02  0.494505D+01  0.464039D+00
      2   0.249349D+00  0.153040D+01  0.523253D+00  0.135036D+02  0.272271D+01
      3   0.727400D+01  0.287095D+01  0.127044D+02 -0.184487D+02 -0.318675D+01
      4   0.176324D+02  0.450299D+01  0.261226D+02 -0.392050D+02 -0.106465D+02
      5   0.415316D+01  0.547483D+01  0.560201D+01 -0.107877D+02 -0.106734D+02
      6  -0.143156D+01 -0.151640D+01 -0.299341D+01  0.613513D+01  0.664870D+01
               151           152           153 
      1  -0.861376D+01  0.518974D+00  0.487014D+00
      2   0.320555D+01  0.287224D+01 -0.733361D+00
      3   0.540821D+01 -0.339121D+01  0.246347D+00
      4   0.774461D+01 -0.131783D+02 -0.815900D+01
      5   0.789738D+01 -0.858574D+01 -0.494940D+01
      6  -0.318723D+01  0.656240D+01  0.431906D+01
 Leave Link  716 at Thu Jul  8 22:11:57 2021, MaxMem= 10737418240 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.875724D+02  0.925620D-01  0.362495D+00
      2   0.925620D-01  0.758931D+02 -0.476325D+00
      3   0.362495D+00 -0.476325D+00  0.616205D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.183511D+01 -0.810599D+00 -0.425231D+01
      2   0.713230D+00  0.323767D+00  0.213569D+02
      3   0.678511D+01 -0.140492D+02 -0.681461D+00
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.340529D+02 -0.211325D+02 -0.565007D+00
      2  -0.181626D+02  0.198792D+02 -0.457308D+01
      3  -0.158904D+02  0.125324D+01  0.513809D+01
      4  -0.100677D+02  0.278092D+02  0.189213D+01
      5   0.403401D+01  0.140278D+00  0.471104D+02
      6  -0.120716D+01 -0.320669D+01  0.100622D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    51 ND12= 1 LenFil=    1839:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.283371D+01 -0.107173D+01  0.100770D+01 -0.548949D-01 -0.441072D+01
      2  -0.107173D+01 -0.346921D+01  0.857571D-01 -0.441072D+01 -0.442061D+00
      3   0.100770D+01  0.857571D-01 -0.175160D+01  0.231535D+00  0.239374D+01
                 6             7             8             9            10 
      1   0.231535D+00  0.168777D+01  0.485926D+00 -0.218530D+01 -0.132265D+01
      2   0.239374D+01  0.485926D+00  0.340913D+01 -0.100837D+01  0.254786D+01
      3  -0.459941D+00 -0.218530D+01 -0.100837D+01 -0.665311D+01 -0.128780D+01
                11            12            13            14            15 
      1   0.254786D+01 -0.128780D+01  0.221667D+01  0.306303D+01  0.321697D+00
      2   0.364411D+01  0.294710D+00  0.306303D+01 -0.297676D+01 -0.155749D+01
      3   0.294710D+00 -0.118352D-02  0.321697D+00 -0.155749D+01 -0.926022D+00
                16            17            18            19            20 
      1  -0.235845D+01  0.389126D+00  0.751704D+00 -0.169545D+01 -0.190122D+01
      2   0.389126D+00 -0.190596D+01 -0.967445D+00 -0.190122D+01  0.455351D+01
      3   0.751704D+00 -0.967445D+00  0.974383D+01 -0.113658D+01  0.554990D+00
                21            22            23            24            25 
      1  -0.113658D+01 -0.176769D+01  0.241511D+01  0.732156D+00 -0.131963D+01
      2   0.554990D+00  0.241511D+01  0.185179D+01 -0.735678D+00  0.161671D+01
      3   0.222987D+01  0.732156D+00 -0.735678D+00 -0.219853D+01  0.257200D+01
                26            27            28            29            30 
      1   0.161671D+01  0.257200D+01  0.485197D+01  0.529000D+01 -0.609909D-02
      2  -0.189355D+00 -0.325948D+01  0.529000D+01 -0.391775D+01 -0.248713D+00
      3  -0.325948D+01  0.355900D+01 -0.609909D-02 -0.248713D+00 -0.455901D+00
                31            32            33            34            35 
      1   0.354150D+01  0.135157D+00 -0.541941D+00  0.687971D+00 -0.869677D+00
      2   0.135157D+00 -0.334784D+01 -0.244130D+00 -0.869677D+00 -0.358639D+00
      3  -0.541941D+00 -0.244130D+00 -0.299515D-01 -0.447633D-01  0.114822D+00
                36            37            38            39            40 
      1  -0.447633D-01  0.274666D+00 -0.357148D+01  0.113875D+00 -0.240029D+01
      2   0.114822D+00 -0.357148D+01  0.140811D+01  0.559638D+00 -0.466925D+00
      3   0.129081D-01  0.113875D+00  0.559638D+00 -0.347173D+00  0.455287D+00
                41            42            43            44            45 
      1  -0.466925D+00  0.455287D+00 -0.989287D+00  0.133412D+01 -0.844711D+00
      2   0.523887D+01  0.168360D+01  0.133412D+01  0.246010D+01  0.342971D+01
      3   0.168360D+01  0.279075D+01 -0.844711D+00  0.342971D+01 -0.436318D+01
                46            47            48            49            50 
      1  -0.836663D+00  0.114713D+01 -0.129235D+01  0.784523D+00 -0.826220D+00
      2   0.114713D+01 -0.153377D+01  0.628103D+00 -0.826220D+00  0.203206D+01
      3  -0.129235D+01  0.628103D+00 -0.122329D+01  0.360895D+00 -0.156307D+01
                51            52            53            54            55 
      1   0.360895D+00 -0.229213D+01  0.657576D+00 -0.200191D+01 -0.380595D+01
      2  -0.156307D+01  0.657576D+00 -0.314582D+01  0.314528D+01  0.259176D+01
      3   0.180054D+01 -0.200191D+01  0.314528D+01 -0.631982D+01  0.167465D+01
                56            57            58            59            60 
      1   0.259176D+01  0.167465D+01  0.205802D+01 -0.210154D+01 -0.789005D+00
      2  -0.330389D+01 -0.105966D+01 -0.210154D+01  0.390346D+01  0.160578D+01
      3  -0.105966D+01 -0.148180D+01 -0.789005D+00  0.160578D+01  0.156035D+01
                61            62            63            64            65 
      1   0.278012D+01 -0.176668D+01 -0.187600D+01 -0.151968D+02 -0.455033D+01
      2  -0.176668D+01  0.277997D+01  0.244335D+01 -0.455033D+01 -0.128040D+01
      3  -0.187600D+01  0.244335D+01  0.214521D+01  0.389300D+00  0.248726D-01
                66            67            68            69            70 
      1   0.389300D+00 -0.348076D+01 -0.428260D+01  0.124034D+00  0.123782D-01
      2   0.248726D-01 -0.428260D+01 -0.266500D+01  0.117288D+00  0.254514D+00
      3  -0.157864D+01  0.124034D+00  0.117288D+00 -0.672928D+00 -0.373226D+01
                71            72            73            74            75 
      1   0.254514D+00 -0.373226D+01 -0.274317D+00 -0.829195D+00 -0.689612D+00
      2   0.162287D+00 -0.142325D+01 -0.829195D+00 -0.104571D+01 -0.291184D+00
      3  -0.142325D+01  0.299121D+00 -0.689612D+00 -0.291184D+00 -0.554527D-01
                76            77            78            79            80 
      1  -0.142554D+01 -0.877057D-01 -0.657051D-01 -0.902760D+00 -0.283535D+00
      2  -0.877057D-01 -0.765926D+01 -0.237995D+01 -0.283535D+00 -0.398512D+01
      3  -0.657051D-01 -0.237995D+01 -0.198422D+01  0.186269D+00 -0.261176D+01
                81            82            83            84            85 
      1   0.186269D+00  0.985292D+00 -0.105166D+00  0.104822D+01 -0.174436D+00
      2  -0.261176D+01 -0.105166D+00  0.112338D+00 -0.293256D+00  0.554897D+00
      3  -0.176497D+01  0.104822D+01 -0.293256D+00  0.850965D+00 -0.304210D+00
                86            87            88            89            90 
      1   0.554897D+00 -0.304210D+00  0.265118D+01 -0.562471D+00  0.837904D+00
      2  -0.239382D+01  0.146974D+01 -0.562471D+00  0.267791D+01 -0.302894D+01
      3   0.146974D+01 -0.159344D+01  0.837904D+00 -0.302894D+01  0.622961D+01
                91            92            93            94            95 
      1   0.253138D+01  0.247615D+01 -0.824819D+00  0.225507D+01  0.286233D+01
      2   0.247615D+01  0.332649D+01 -0.528346D+00  0.286233D+01  0.672213D+01
      3  -0.824819D+00 -0.528346D+00  0.895856D+00 -0.521300D+00 -0.151873D+01
                96            97            98            99           100 
      1  -0.521300D+00 -0.161225D+01 -0.107314D+01  0.110428D+01  0.464595D+00
      2  -0.151873D+01 -0.107314D+01 -0.281102D+01  0.161347D+01  0.323283D+00
      3   0.121485D+01  0.110428D+01  0.161347D+01 -0.563689D+00  0.118391D+01
               101           102           103           104           105 
      1   0.323283D+00  0.118391D+01  0.595749D-01  0.804249D+00  0.828832D-01
      2   0.686894D+00  0.377575D+00  0.804249D+00  0.689840D+00  0.797823D+00
      3   0.377575D+00  0.121975D+01  0.828832D-01  0.797823D+00  0.169108D+00
               106           107           108           109           110 
      1   0.213743D+01  0.116104D+00  0.165597D+01  0.108523D+01 -0.322235D+01
      2   0.116104D+00  0.156590D+01  0.187868D+01 -0.322235D+01 -0.357701D+01
      3   0.165597D+01  0.187868D+01  0.764531D+01  0.226794D+01 -0.168744D+00
               111           112           113           114           115 
      1   0.226794D+01 -0.334760D+01 -0.474332D+01 -0.154492D+00  0.288377D+01
      2  -0.168744D+00 -0.474332D+01  0.308814D+01  0.280545D+01 -0.373164D+00
      3  -0.445428D+00 -0.154492D+00  0.280545D+01  0.997962D+00 -0.139040D+01
               116           117           118           119           120 
      1  -0.373164D+00 -0.139040D+01  0.822379D+00 -0.301749D+00 -0.113557D+01
      2   0.279606D+01  0.116960D+01 -0.301749D+00 -0.242039D+00 -0.251712D-01
      3   0.116960D+01 -0.703431D+01 -0.113557D+01 -0.251712D-01  0.323414D+00
               121           122           123           124           125 
      1  -0.380451D+00 -0.254031D+00 -0.797211D-02 -0.171247D+01 -0.186144D-01
      2  -0.254031D+00  0.476060D+00 -0.868915D+00 -0.186144D-01 -0.122871D+01
      3  -0.797211D-02 -0.868915D+00  0.550163D+00  0.677655D+00  0.255059D+00
               126           127           128           129           130 
      1   0.677655D+00  0.878641D-01  0.199527D+00  0.688485D+00  0.166039D+00
      2   0.255059D+00  0.199527D+00  0.227459D+00 -0.352905D-02  0.774338D+00
      3  -0.965959D+01  0.688485D+00 -0.352905D-02  0.125725D+00 -0.942059D-01
               131           132           133           134           135 
      1   0.774338D+00 -0.942059D-01  0.254635D+01 -0.394239D+00  0.188949D+01
      2  -0.656506D+00  0.655891D+00 -0.394239D+00  0.121796D+01 -0.866689D+00
      3   0.655891D+00 -0.535313D+00  0.188949D+01 -0.866689D+00  0.779757D+01
               136           137           138           139           140 
      1   0.683052D+01  0.258874D+01 -0.114393D+01  0.518344D+01  0.296427D+01
      2   0.258874D+01  0.228685D+01 -0.449828D+00  0.296427D+01  0.271970D+01
      3  -0.114393D+01 -0.449828D+00  0.110433D+01 -0.559190D+00 -0.879725D+00
               141           142           143           144           145 
      1  -0.559190D+00 -0.224560D+01 -0.553845D+00  0.133240D+01  0.236419D+01
      2  -0.879725D+00 -0.553845D+00 -0.117157D+01  0.561751D+00 -0.161125D+01
      3   0.989891D+00  0.133240D+01  0.561751D+00 -0.342159D+00 -0.857301D+00
               146           147           148           149           150 
      1  -0.161125D+01 -0.857301D+00 -0.323318D+01  0.359968D+01  0.729535D+00
      2   0.212401D+01  0.542780D+00  0.359968D+01 -0.658080D+01 -0.178161D+01
      3   0.542780D+00  0.590549D+00  0.729535D+00 -0.178161D+01 -0.167326D+01
               151           152           153 
      1  -0.195440D+01  0.104130D+01  0.106767D+01
      2   0.104130D+01 -0.227313D+01 -0.144580D+01
      3   0.106767D+01 -0.144580D+01 -0.731751D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.222315D+01 -0.107714D+01  0.196184D+01 -0.778263D-01 -0.587290D+01
      2   0.119212D+01  0.234131D+01  0.444929D+00  0.259437D+01  0.323312D+01
      3   0.107646D+02 -0.161511D+00  0.143859D+01  0.678036D+01 -0.551684D+01
                 6             7             8             9            10 
      1  -0.839645D+00  0.156965D+01  0.583736D+01  0.818306D+01  0.482354D+00
      2  -0.866823D+00 -0.602108D+01 -0.260695D+01 -0.386657D+01 -0.427434D+01
      3  -0.147243D+01  0.140335D+01 -0.260484D+01 -0.243036D+01 -0.596836D+01
                11            12            13            14            15 
      1  -0.580306D+00 -0.154527D+00 -0.198015D+01  0.750702D+00 -0.188853D+01
      2   0.139246D+01  0.216320D+01  0.506332D+00 -0.134162D+01 -0.839702D+00
      3  -0.907904D+01 -0.220798D+00 -0.242732D+01  0.375337D+01  0.288388D+01
                16            17            18            19            20 
      1   0.621664D+00  0.449498D+01  0.881436D+00  0.445810D+01 -0.226614D+01
      2  -0.557253D+01  0.551987D+00  0.101915D+02  0.236224D+01 -0.192334D+01
      3  -0.117388D+01  0.299106D+01  0.147832D+01 -0.115891D+02  0.320416D+01
                21            22            23            24            25 
      1  -0.450910D+01 -0.208115D+01  0.247703D+01 -0.132246D+01 -0.147455D+01
      2  -0.193236D+01 -0.231254D+01  0.160298D+01  0.413422D+01 -0.654927D+01
      3  -0.182641D+01  0.706089D+01  0.468117D+01  0.912829D+00 -0.181206D+01
                26            27            28            29            30 
      1   0.983109D+01 -0.531077D+01 -0.535181D+01 -0.178181D+00  0.170596D+01
      2   0.592726D+01 -0.453251D+01 -0.199109D+01 -0.144681D+01 -0.823633D+01
      3   0.235868D+01 -0.807914D+00  0.479935D+01 -0.411673D+01  0.215851D+00
                31            32            33            34            35 
      1  -0.193828D+01 -0.392582D+00  0.467361D+01 -0.482139D+01  0.229072D+02
      2  -0.585153D+00 -0.610691D+00 -0.171607D+01 -0.150236D+02  0.413620D+01
      3   0.236572D+01 -0.177853D+01 -0.270108D+00 -0.164094D+00 -0.853332D+00
                36            37            38            39            40 
      1  -0.592936D+00  0.105975D+01  0.197205D+01  0.117206D+01  0.230434D+01
      2   0.476092D+00 -0.720788D-01  0.194117D+00  0.392011D+01 -0.372106D+00
      3  -0.154501D+00 -0.308512D+01  0.290904D+01 -0.182635D+00  0.886345D+01
                41            42            43            44            45 
      1   0.681365D+01  0.169531D+01 -0.440497D+01  0.721146D+01 -0.614465D+01
      2   0.312926D+00 -0.217613D+01 -0.471639D+01 -0.787313D+00 -0.993325D-01
      3   0.546907D+01 -0.186231D+01  0.129079D+01 -0.320837D+01  0.193909D+01
                46            47            48            49            50 
      1   0.109795D+01 -0.242064D+01  0.284661D+01 -0.209112D+01  0.573318D+00
      2   0.155549D+01 -0.840636D+00  0.289613D+01 -0.449193D+00  0.172667D+01
      3   0.102353D+01 -0.131812D+01 -0.883928D+00  0.189273D+01  0.495198D+00
                51            52            53            54            55 
      1  -0.324791D+01  0.314706D+01 -0.497733D+01  0.106639D+02 -0.240631D+01
      2  -0.232956D+01  0.402972D+00 -0.510653D+01  0.873393D+01 -0.194957D+01
      3  -0.914514D+00 -0.315542D+01 -0.318437D+01  0.675053D+00 -0.263759D+01
                56            57            58            59            60 
      1   0.438951D+01  0.345392D+01  0.274140D+01 -0.302575D+01 -0.401132D+01
      2   0.256752D+01  0.372193D+01  0.117102D+01 -0.303838D+01 -0.295707D+01
      3  -0.263386D+01  0.104135D+01  0.297721D+01  0.113212D+01  0.287908D+00
                61            62            63            64            65 
      1   0.362419D+01 -0.386511D+01 -0.455094D+01  0.274349D+01 -0.357393D+00
      2   0.140695D+01 -0.401118D+01 -0.371400D+01  0.490599D+00  0.668945D-01
      3   0.300410D+01  0.184621D+01  0.104465D+00  0.194381D+01 -0.129432D+02
                66            67            68            69            70 
      1  -0.309583D+01  0.556251D+00  0.650024D+00 -0.380334D+01  0.182504D+01
      2   0.128409D+02  0.753807D+00  0.373211D+00  0.413758D+01  0.511695D+01
      3   0.286784D+00 -0.204108D+01 -0.712115D+01  0.338973D+00  0.107162D+01
                71            72            73            74            75 
      1  -0.516471D+01  0.614135D+00  0.793519D+00 -0.865125D+00 -0.421792D+00
      2  -0.511652D+00 -0.581300D+00  0.108857D+01 -0.454760D+00  0.581385D+00
      3   0.107279D+01 -0.852052D+00  0.570710D+00 -0.163738D+01  0.454559D+00
                76            77            78            79            80 
      1   0.144387D+01 -0.561995D+01 -0.566732D+01  0.661406D+00 -0.391435D+01
      2  -0.545080D-01 -0.692701D+00  0.255657D+00 -0.158930D+01 -0.160835D+00
      3   0.450479D+01 -0.350569D+00  0.122295D+00  0.255396D+01  0.243100D+00
                81            82            83            84            85 
      1  -0.390981D+01 -0.420443D+00  0.939652D-01  0.425647D+00 -0.678224D-01
      2   0.344154D-01 -0.225842D+01  0.125903D+00  0.650814D+00  0.192524D+00
      3  -0.406517D+00 -0.171104D+01 -0.177270D+01 -0.613662D+00  0.119222D+01
                86            87            88            89            90 
      1   0.211210D+01 -0.395259D+01  0.359722D+01 -0.422780D+01  0.106450D+02
      2  -0.755140D-01  0.325279D+00 -0.196323D+01 -0.412865D+00 -0.394039D+00
      3  -0.875865D+00  0.616263D+00 -0.420028D+01  0.110441D+01 -0.160754D+01
                91            92            93            94            95 
      1   0.128916D+01  0.898659D+00 -0.232307D+01  0.116052D+01  0.261127D+01
      2  -0.951826D+00 -0.118335D+01  0.193877D+01 -0.917083D+00 -0.229541D+01
      3   0.308265D+01 -0.509593D+00 -0.939855D+00  0.463899D+01 -0.104925D+01
                96            97            98            99           100 
      1  -0.409569D+01 -0.161356D+01 -0.126160D+01  0.156999D+01 -0.135710D+01
      2   0.209063D+01  0.118545D+00  0.184260D+01 -0.125940D+01 -0.425632D-01
      3   0.177696D+00 -0.275709D+01  0.132047D+01  0.625715D+00  0.238198D+00
               101           102           103           104           105 
      1   0.753117D+00 -0.185324D+01  0.111077D-01 -0.862350D+00 -0.148325D+01
      2  -0.135649D-03  0.158739D+01 -0.782921D-01 -0.200755D+00  0.741306D-03
      3  -0.156394D+01  0.147687D+01  0.242200D+00  0.102147D+01 -0.284793D+00
               106           107           108           109           110 
      1  -0.256894D+01  0.739079D+00 -0.112786D+02 -0.134536D+00 -0.125622D+01
      2  -0.261443D+01  0.129070D+01  0.475793D+01  0.910892D+01 -0.455409D+00
      3   0.369559D+01 -0.157267D+01  0.154959D+01  0.947981D+01  0.107429D+02
               111           112           113           114           115 
      1  -0.186689D+00 -0.154929D+01  0.243733D+01 -0.237229D+00 -0.186915D+01
      2  -0.579814D+00 -0.346652D+00  0.859246D+01  0.259785D+01 -0.773326D+01
      3  -0.855689D+00  0.202821D+02 -0.717390D+01 -0.808533D+01 -0.272311D+00
               116           117           118           119           120 
      1   0.285147D+01 -0.339137D+01  0.944593D-01  0.391139D+00  0.268620D+00
      2   0.359554D+01 -0.181480D+02 -0.558996D+00 -0.450915D+00  0.120307D+01
      3  -0.821473D+01 -0.258854D+01  0.943973D+00 -0.442901D+00  0.196371D+00
               121           122           123           124           125 
      1   0.623086D+00 -0.664638D+00 -0.380979D+00 -0.190003D+00  0.357880D+01
      2   0.186729D+00 -0.124921D+01  0.419232D+00 -0.372002D+01  0.437045D+00
      3   0.224975D+01 -0.947979D+00  0.134389D+01 -0.116281D+00  0.180933D+01
               126           127           128           129           130 
      1  -0.944062D+00  0.556425D+00  0.154798D-01  0.285353D+00  0.662698D-01
      2  -0.102738D+02  0.205466D+01 -0.227214D+00  0.191088D+01 -0.140334D+00
      3  -0.418908D+00 -0.451359D+00 -0.152496D+01 -0.255125D+00 -0.953587D+00
               131           132           133           134           135 
      1  -0.134552D-01 -0.109253D+01  0.789568D+00  0.294162D+01  0.417936D+01
      2   0.136868D+01 -0.167620D+01  0.875790D+00 -0.215127D+01  0.216891D+02
      3   0.123727D+01 -0.140625D+01 -0.543746D+00 -0.359280D+01  0.155952D+01
               136           137           138           139           140 
      1   0.721749D-01 -0.401857D-01 -0.608774D+00 -0.627153D-02 -0.432473D+00
      2  -0.327539D+01 -0.158826D+01  0.505913D+01 -0.162376D+01 -0.272610D+01
      3  -0.102006D+02 -0.104506D+02  0.197581D+01 -0.846993D+01 -0.103944D+02
               141           142           143           144           145 
      1  -0.133120D+01  0.409924D+00  0.109815D+01  0.194002D+00 -0.754033D+00
      2   0.428331D+01  0.250000D+01  0.163310D+01 -0.112218D+01 -0.229784D+01
      3   0.296431D+01  0.214489D+01  0.413369D+01 -0.192165D+01  0.275126D+01
               146           147           148           149           150 
      1   0.527426D+00  0.103301D+01  0.704573D+00 -0.130287D+01 -0.382668D+01
      2   0.164417D+01  0.264165D+01  0.147484D+01 -0.497966D+01 -0.568293D+01
      3  -0.665198D+01 -0.106991D+01 -0.536796D+01  0.174639D+02  0.482921D+01
               151           152           153 
      1   0.742119D+00 -0.129835D+00 -0.104587D+01
      2   0.129143D+01 -0.371089D+01 -0.207323D+01
      3  -0.969132D+00  0.635137D+01  0.325623D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.235907D+01  0.684511D+01  0.214147D+01  0.424447D+01 -0.434771D+01
      2  -0.204310D+01 -0.135607D+02  0.177844D+01 -0.117016D+02 -0.429393D+01
      3  -0.315972D+00  0.671559D+01 -0.391992D+01  0.745709D+01  0.864164D+01
      4   0.132645D+01 -0.106786D+02  0.215485D+01 -0.104529D+02 -0.114048D+02
      5   0.281966D+01  0.335685D+01 -0.291169D+01  0.302954D+01  0.436356D+01
      6   0.388462D+01  0.194070D+01 -0.510176D+01  0.292640D+01  0.116487D+02
                 6             7             8             9            10 
      1  -0.325521D+01  0.286715D+01 -0.320484D+01  0.610782D+01 -0.139100D+02
      2   0.867840D+01  0.352035D+01  0.112188D+02  0.250395D+01  0.468245D+01
      3  -0.542319D+01 -0.638750D+01 -0.801392D+01 -0.861177D+01  0.922758D+01
      4   0.466856D+01  0.236079D+01  0.800204D+01 -0.966264D+01  0.713473D+01
      5  -0.193892D+01 -0.308384D+01 -0.487658D+01 -0.103791D+02 -0.766875D+01
      6  -0.128074D+01 -0.692093D+01 -0.414352D+01 -0.155594D+02 -0.564909D-01
                11            12            13            14            15 
      1   0.614494D+01 -0.443819D+01  0.962499D+01  0.114008D+02  0.187186D+01
      2  -0.730403D+00  0.250744D+01 -0.376264D+01 -0.616941D+01 -0.226960D+01
      3  -0.541454D+01  0.193075D+01 -0.586234D+01 -0.523138D+01  0.397733D+00
      4   0.117064D+01  0.160440D+01  0.783084D+01 -0.490100D+01 -0.200099D+01
      5   0.199819D+01 -0.185724D+01  0.114694D+01 -0.249240D+01 -0.143554D+01
      6  -0.243897D+00  0.950373D+00 -0.125573D+01 -0.761657D+00  0.833109D+00
                16            17            18            19            20 
      1  -0.978306D+01  0.253763D+01  0.856697D+01  0.386538D+00 -0.461153D+01
      2   0.309539D+01 -0.326361D+01  0.921977D+01 -0.189185D+01  0.876780D+01
      3   0.668767D+01  0.725977D+00 -0.177867D+02  0.150531D+01 -0.415627D+01
      4   0.101166D+01 -0.312341D+01 -0.135271D+01  0.346487D+01 -0.142875D+02
      5   0.341336D+01 -0.135702D+01  0.229388D+02  0.314856D+01 -0.505756D+01
      6  -0.246939D+00  0.456211D+01 -0.497703D+00 -0.518445D+01  0.347025D+01
                21            22            23            24            25 
      1   0.228367D+01  0.390653D+01 -0.628353D+01 -0.111005D+01  0.320053D+00
      2   0.238229D+01  0.386218D+00  0.119348D+02 -0.286681D+01  0.321281D+01
      3  -0.466595D+01 -0.429274D+01 -0.565127D+01  0.397686D+01 -0.353286D+01
      4  -0.393893D+01 -0.203814D+01  0.818229D+01  0.193396D+01 -0.645860D+01
      5  -0.711160D+01 -0.455676D+01  0.244801D+01  0.787806D+01 -0.744843D+01
      6   0.815212D+01  0.400658D+01 -0.433696D+01 -0.499408D+01  0.911791D+01
                26            27            28            29            30 
      1  -0.528525D+01  0.767110D+01 -0.434955D+02 -0.876900D+01 -0.107177D+00
      2  -0.313215D+01 -0.418955D+01  0.232560D+02  0.156964D+00 -0.166735D+00
      3   0.841740D+01 -0.348155D+01  0.202396D+02  0.861203D+01  0.273912D+00
      4  -0.152279D+00  0.170109D+02 -0.248148D+02 -0.141240D+02  0.114967D+01
      5   0.123206D+02 -0.707646D+01  0.201482D+01  0.136234D+01 -0.115224D+02
      6  -0.156389D+02  0.121987D+02 -0.130949D+01 -0.641254D+00 -0.354771D+01
                31            32            33            34            35 
      1  -0.182605D+02 -0.477401D+00 -0.182626D-01  0.771238D+00  0.580390D+00
      2   0.116726D+02 -0.495043D+01 -0.522835D+00 -0.100780D+01  0.820444D+00
      3   0.658785D+01  0.542783D+01  0.541098D+00  0.236567D+00 -0.140083D+01
      4  -0.704255D+01 -0.257696D+00  0.174809D+00  0.202532D+01  0.943646D+00
      5   0.196460D+01 -0.129934D+00 -0.300528D+01  0.297668D+01 -0.137816D+01
      6  -0.151965D+01  0.199555D+01 -0.368224D+01 -0.121663D+01  0.498183D+01
                36            37            38            39            40 
      1  -0.100749D+02  0.176629D+01 -0.389905D+00  0.257081D+01 -0.111435D+02
      2  -0.157766D+01  0.301866D+01 -0.249458D+01 -0.251286D+01  0.573006D+01
      3   0.116526D+02 -0.478495D+01  0.288449D+01 -0.579566D-01  0.541342D+01
      4  -0.377917D+01 -0.171510D+00  0.509607D+01 -0.411242D+00 -0.935386D+00
      5   0.164225D+01  0.363512D+00 -0.737405D+00  0.223512D+01 -0.292560D+00
      6  -0.687844D+00  0.166028D+01 -0.283271D+01  0.311431D+00 -0.151290D+01
                41            42            43            44            45 
      1   0.886999D+01  0.111668D+01  0.969286D+01 -0.907428D+00  0.142759D+02
      2  -0.104646D+02 -0.620992D+01 -0.499491D+01 -0.555034D+01 -0.877931D+01
      3   0.159462D+01  0.509323D+01 -0.469795D+01  0.645777D+01 -0.549654D+01
      4  -0.551117D+01 -0.134049D+01  0.232739D+01 -0.183510D+01  0.353612D+01
      5  -0.134506D+01 -0.184119D+01 -0.264006D+01  0.152411D+01 -0.386937D+01
      6  -0.114067D+02 -0.862645D+01  0.553864D+01 -0.153462D+02  0.110010D+02
                46            47            48            49            50 
      1   0.953171D+00  0.282995D+00  0.128124D+01  0.994969D+00 -0.711269D+01
      2  -0.114153D+01 -0.172162D+01 -0.180202D+01 -0.227265D+01  0.753793D+01
      3   0.188363D+00  0.143862D+01  0.520782D+00  0.127768D+01 -0.425238D+00
      4  -0.606465D+01  0.926891D+01 -0.526313D+01  0.518531D+01 -0.791245D+01
      5   0.570107D+01 -0.313947D+01  0.814183D+01 -0.111220D+01  0.402916D+01
      6  -0.458953D+01  0.316788D+01 -0.447074D+01  0.298299D+01 -0.764153D+01
                51            52            53            54            55 
      1   0.496267D+01  0.235473D+01  0.950042D+01 -0.124200D+02  0.810332D+01
      2  -0.419123D+01 -0.331157D+01 -0.583123D+01 -0.206313D+01  0.732179D-01
      3  -0.771440D+00  0.956842D+00 -0.366919D+01  0.144831D+02 -0.817654D+01
      4   0.505369D+01 -0.749592D+01  0.103669D+02 -0.129475D+02 -0.171221D+02
      5  -0.427495D+01  0.919686D+01 -0.944486D+01  0.173358D+02 -0.862319D+01
      6   0.100620D+02 -0.720596D+01  0.164965D+02 -0.229215D+02  0.682078D+01
                56            57            58            59            60 
      1  -0.478470D+00 -0.223570D+01  0.749077D+00 -0.726311D+01 -0.226837D+01
      2  -0.636235D+01 -0.204400D+00 -0.613764D+01  0.147669D+02  0.499795D+01
      3   0.684082D+01  0.244010D+01  0.538856D+01 -0.750375D+01 -0.272957D+01
      4   0.191582D+02  0.756843D+01  0.128517D+02 -0.171984D+02 -0.671082D+01
      5   0.583942D+01  0.809484D+01  0.419118D+01 -0.648530D+01 -0.554968D+01
      6  -0.618696D+01 -0.615310D+01 -0.506921D+01  0.912179D+01  0.867185D+01
                61            62            63            64            65 
      1  -0.282714D+01 -0.361618D+01 -0.425400D+01  0.883652D+02  0.168361D+02
      2   0.593430D-01  0.723664D+01  0.207754D+01 -0.476701D+02 -0.461551D+01
      3   0.276779D+01 -0.362046D+01  0.217646D+01 -0.406951D+02 -0.122206D+02
      4   0.111304D+02 -0.115374D+02 -0.109191D+02  0.378118D+02  0.272629D+02
      5   0.911194D+01 -0.902929D+01 -0.898030D+01 -0.327868D+01 -0.114827D+01
      6  -0.765474D+01  0.127784D+02  0.970184D+01  0.150328D+01  0.472610D+00
                66            67            68            69            70 
      1  -0.137222D+01  0.175043D+02  0.108594D+02  0.130218D+00 -0.194693D+01
      2   0.124568D+01 -0.572460D+01  0.110815D+01 -0.227022D+00  0.204384D+01
      3   0.126546D+00 -0.117797D+02 -0.119676D+02  0.968044D-01 -0.969118D-01
      4  -0.603936D+00  0.294094D+02  0.203909D+02 -0.325013D+00 -0.663249D+00
      5   0.217221D+02 -0.104459D+01 -0.650740D+00  0.674951D+01  0.250650D+02
      6   0.544413D+01  0.588889D+00 -0.862602D+00  0.641573D+01  0.576127D+01
                71            72            73            74            75 
      1   0.116768D+00  0.128320D+02  0.349716D+00 -0.183015D+01 -0.727637D+00
      2  -0.805035D-01 -0.103597D+02  0.132644D+01  0.321013D+01  0.660005D+00
      3  -0.362648D-01 -0.247228D+01 -0.167616D+01 -0.137999D+01  0.676325D-01
      4  -0.291857D+00  0.897143D+01  0.169145D+01  0.862957D+01  0.250567D+01
      5   0.745919D+01 -0.234597D+01  0.684197D+00  0.161903D+01  0.250056D+01
      6   0.717748D+01 -0.127159D+00  0.250038D+01  0.139171D+01  0.485445D+00
                76            77            78            79            80 
      1   0.194769D+01 -0.238542D+02 -0.737776D+01 -0.101219D+01 -0.104443D+02
      2  -0.851082D+00  0.342150D+02  0.939760D+01  0.633737D+00  0.121780D+02
      3  -0.109661D+01 -0.103609D+02 -0.201984D+01  0.378450D+00 -0.173367D+01
      4   0.591166D+01  0.183012D+01  0.868729D+00  0.363510D+01  0.123351D+01
      5   0.132586D+01  0.127395D+01  0.757476D+00  0.221669D+01  0.768970D+00
      6   0.198747D+00  0.156134D+02  0.113884D+02 -0.939459D+00  0.145420D+02
                81            82            83            84            85 
      1  -0.989609D+01 -0.233751D+00 -0.759343D-01 -0.858679D+00  0.233098D+01
      2   0.654787D+01 -0.144594D+01 -0.287162D+00  0.242242D+00 -0.235630D+01
      3   0.334822D+01  0.167969D+01  0.363096D+00  0.616437D+00  0.253232D-01
      4   0.971007D-01 -0.271856D+01  0.352753D+01 -0.343874D+01  0.231706D+01
      5   0.110708D+01  0.767423D+00 -0.199575D+01  0.457280D+01 -0.786420D+00
      6   0.991244D+01 -0.323127D+01  0.969295D+00 -0.172914D+01  0.109225D+01
                86            87            88            89            90 
      1  -0.102048D+02  0.546653D+01 -0.301762D+01  0.109176D+02 -0.180955D+02
      2   0.973227D+01 -0.388932D+01  0.390541D+00 -0.638863D+01  0.140081D+01
      3   0.472570D+00 -0.157721D+01  0.262708D+01 -0.452897D+01  0.166947D+02
      4  -0.169100D+01  0.930342D+00 -0.556040D+01  0.125466D+01 -0.231127D+01
      5   0.973964D+00 -0.330550D-01  0.441582D+01 -0.129095D+01  0.198000D+01
      6  -0.673002D+01  0.955803D+01 -0.425530D+01  0.147560D+02 -0.206364D+02
                91            92            93            94            95 
      1   0.156282D+01 -0.306052D+01 -0.412665D+00 -0.290595D+01 -0.150664D+02
      2   0.581019D+01  0.113183D+02 -0.156293D+01  0.103984D+02  0.321040D+02
      3  -0.737301D+01 -0.825774D+01  0.197559D+01 -0.749243D+01 -0.170375D+02
      4   0.129324D+02  0.166193D+02 -0.388435D+01  0.153990D+02  0.214884D+02
      5  -0.336559D+01 -0.233438D+01  0.357914D+01 -0.214474D+01 -0.394229D+01
      6  -0.390259D+01 -0.342822D+01  0.391611D+01 -0.323108D+01 -0.894165D+01
                96            97            98            99           100 
      1   0.315346D+01 -0.598292D+00  0.581699D+01 -0.434010D+01  0.527090D+00
      2  -0.646253D+01 -0.207786D+01 -0.103996D+02  0.360766D+01 -0.247521D+01
      3   0.330907D+01  0.267615D+01  0.458262D+01  0.732441D+00  0.194812D+01
      4  -0.479017D+01 -0.666140D+01 -0.849916D+01  0.596541D+01  0.251684D+01
      5   0.300375D+01  0.403818D+01  0.422156D+01 -0.271396D+01  0.401348D+01
      6   0.749752D+01  0.512536D+01  0.940909D+01 -0.505557D+01  0.305360D+01
               101           102           103           104           105 
      1  -0.952662D+00  0.384677D+00 -0.188180D+01 -0.309797D+01 -0.270114D+01
      2   0.213439D+01 -0.229734D+01  0.297826D+01  0.268389D+01  0.230179D+01
      3  -0.118173D+01  0.191266D+01 -0.109647D+01  0.414077D+00  0.399348D+00
      4   0.459101D+01  0.328901D+01  0.298726D+01  0.301540D+01  0.141862D+01
      5   0.119785D+01  0.754614D+01 -0.319497D+00  0.118832D+01 -0.351075D-01
      6   0.145359D+01  0.313301D+01  0.883908D+00  0.282294D+01  0.611399D+01
               106           107           108           109           110 
      1   0.543485D+00 -0.583136D+01 -0.148055D+02  0.362868D+01 -0.202976D+02
      2  -0.348712D+01  0.327285D+01 -0.776190D+01 -0.316643D+01  0.139433D+02
      3   0.294363D+01  0.255850D+01  0.225674D+02 -0.462247D+00  0.635430D+01
      4   0.519849D+01  0.381828D+01  0.727129D+01 -0.206552D+02 -0.198351D+02
      5   0.708902D+01  0.356883D+01  0.127322D+02  0.167897D+02 -0.120670D+01
      6   0.552598D+01  0.978955D+01  0.221504D+02 -0.220505D+01  0.268613D+01
               111           112           113           114           115 
      1   0.121072D+02 -0.258157D+02 -0.194958D+02  0.208457D+01  0.162421D+02
      2  -0.480834D+01  0.184463D+02  0.290155D+01 -0.513920D+01 -0.401062D+01
      3  -0.729886D+01  0.736941D+01  0.165943D+02  0.305463D+01 -0.122315D+02
      4  -0.135512D+01 -0.284545D+02  0.173296D+02  0.157784D+02 -0.183245D+01
      5  -0.290990D+01 -0.111462D+01  0.169500D+02  0.479291D+01 -0.680859D+01
      6   0.510462D+00  0.366072D+01 -0.519157D+01 -0.215249D+01  0.180160D+01
               116           117           118           119           120 
      1   0.120495D+01  0.197161D+01  0.366778D+01 -0.110498D+01 -0.264043D+01
      2  -0.509698D+01  0.502048D+01 -0.532436D+01  0.435685D+00  0.134837D+01
      3   0.389203D+01 -0.699209D+01  0.165658D+01  0.669296D+00  0.129206D+01
      4   0.158806D+02  0.537201D+01 -0.103684D+01  0.182826D+01 -0.137453D+00
      5   0.575104D+01 -0.327150D+02 -0.243888D+01 -0.485006D+00  0.794975D+01
      6  -0.299998D+01  0.702055D+01 -0.205802D+00 -0.182184D+00 -0.200580D-01
               121           122           123           124           125 
      1  -0.532942D+00 -0.490505D+01  0.849280D+00 -0.393946D+01  0.128543D+01
      2  -0.261976D-01  0.868310D+00  0.668499D+00  0.450352D+01 -0.899207D-01
      3   0.559140D+00  0.403675D+01 -0.151778D+01 -0.564063D+00 -0.119551D+01
      4   0.160022D+01  0.106288D+01 -0.189478D+01  0.885904D+00 -0.215967D+01
      5  -0.565268D+00 -0.242698D+01  0.123830D+01  0.668130D+01  0.621749D+00
      6  -0.346668D+00 -0.425789D+00  0.760168D+01 -0.777021D-01  0.433378D+01
               126           127           128           129           130 
      1  -0.192265D+02  0.218987D+01  0.127300D+01  0.444019D+01  0.184730D+01
      2  -0.177846D+02 -0.299968D+01 -0.814121D+00 -0.289642D+01 -0.159470D+01
      3   0.370111D+02  0.809818D+00 -0.458879D+00 -0.154377D+01 -0.252603D+00
      4   0.129479D+01  0.104492D+01  0.303076D+01 -0.123192D+01  0.581156D+01
      5  -0.216715D+02  0.355734D+01 -0.648515D+00  0.684012D+01 -0.685465D+00
      6  -0.950662D-02 -0.100106D+01 -0.597043D+00 -0.588198D+00  0.663977D+00
               131           132           133           134           135 
      1   0.893909D+00  0.541253D+00  0.113000D+02  0.251157D+00 -0.526311D+01
      2  -0.764177D-01 -0.701550D-01 -0.922577D+01  0.208682D-01 -0.132075D+02
      3  -0.817491D+00 -0.471098D+00 -0.207419D+01 -0.272026D+00  0.184706D+02
      4  -0.360214D+01  0.281117D+01 -0.370070D+01  0.637045D+01 -0.415844D+01
      5   0.262843D+01 -0.317584D+01  0.147087D+02 -0.453885D+01  0.410350D+02
      6  -0.111895D+01  0.538848D+01 -0.224492D+01  0.598398D+01 -0.938821D+01
               136           137           138           139           140 
      1   0.466882D+02  0.178354D+02 -0.753188D+01  0.305560D+02  0.145442D+02
      2  -0.245011D+02 -0.969116D+01  0.431451D+01 -0.155844D+02 -0.421071D+01
      3  -0.221871D+02 -0.814421D+01  0.321737D+01 -0.149717D+02 -0.103334D+02
      4   0.171193D+02  0.170027D+02 -0.298651D+01  0.210692D+02  0.184767D+02
      5  -0.847885D+01 -0.325012D+01  0.927619D+01 -0.463801D+01 -0.559497D+01
      6  -0.235693D+00 -0.834582D-02  0.224027D+00 -0.713304D+00 -0.396506D+00
               141           142           143           144           145 
      1  -0.359222D+01 -0.125948D+02 -0.312339D+01  0.538304D+01  0.138548D+02
      2   0.244656D+01  0.720890D+01  0.253072D+01 -0.500172D+01 -0.388924D+01
      3   0.114566D+01  0.538586D+01  0.592666D+00 -0.381322D+00 -0.996557D+01
      4  -0.556702D+01 -0.394692D+01 -0.709298D+01  0.377084D+01 -0.123666D+02
      5   0.754297D+01  0.107424D+02  0.435799D+01 -0.370758D+01 -0.564338D+01
      6   0.217709D+01  0.117161D+01  0.264858D+01 -0.189699D+01  0.249850D+01
               146           147           148           149           150 
      1  -0.752335D+01 -0.440135D+01 -0.132276D+02  0.494505D+01  0.464039D+00
      2   0.249349D+00  0.153040D+01  0.523253D+00  0.135036D+02  0.272271D+01
      3   0.727400D+01  0.287095D+01  0.127044D+02 -0.184487D+02 -0.318675D+01
      4   0.176324D+02  0.450299D+01  0.261226D+02 -0.392050D+02 -0.106465D+02
      5   0.415316D+01  0.547483D+01  0.560201D+01 -0.107877D+02 -0.106734D+02
      6  -0.143156D+01 -0.151640D+01 -0.299341D+01  0.613513D+01  0.664870D+01
               151           152           153 
      1  -0.861376D+01  0.518974D+00  0.487014D+00
      2   0.320555D+01  0.287224D+01 -0.733361D+00
      3   0.540821D+01 -0.339121D+01  0.246347D+00
      4   0.774461D+01 -0.131783D+02 -0.815900D+01
      5   0.789738D+01 -0.858574D+01 -0.494940D+01
      6  -0.318723D+01  0.656240D+01  0.431906D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.116988D+01      0.297354D+01      0.991865D+01
   y          0.447327D+00      0.113699D+01      0.379260D+01
   z         -0.797473D-01     -0.202697D+00     -0.676126D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.820999D+02      0.121659D+02      0.135364D+02
   yx        -0.197655D+00     -0.292895D-01     -0.325889D-01
   yy         0.714870D+02      0.105933D+02      0.117866D+02
   zx         0.218277D+00      0.323453D-01      0.359890D-01
   zy        -0.409232D+00     -0.606419D-01     -0.674732D-01
   zz         0.584646D+02      0.866355D+01      0.963950D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.750287D+02      0.111181D+02      0.123706D+02
   aniso      0.225368D+02      0.333961D+01      0.371581D+01
   xx         0.875724D+02      0.129769D+02      0.144387D+02
   yx         0.925620D-01      0.137163D-01      0.152614D-01
   yy         0.758931D+02      0.112462D+02      0.125131D+02
   zx         0.362495D+00      0.537162D-01      0.597673D-01
   zy        -0.476325D+00     -0.705841D-01     -0.785354D-01
   zz         0.616205D+02      0.913122D+01      0.101599D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.07672834          1.57418556          1.82045665
     6          0.85782536         -0.60445233          1.88289168
     6         -0.82951146          2.68637749         -0.83724603
     6         -0.03734411          0.46082802         -2.49496395
     6          0.65280731         -1.74334559         -0.77375511
     1          0.69430021          4.08359179         -0.92942323
     1         -2.52308751          3.58878178         -1.58320327
     8          0.03084971          0.45457363         -4.76872348
     1          2.33496657         -2.71940700         -1.45007782
     1         -0.91586683         -3.09600251         -0.85827625
     1         -0.75526009          2.95042638          3.31939032
     1         -2.97577969          0.80081344          2.09156224
     6          0.45362206         -2.47435882          4.02665890
     1          2.74314012          0.23178300          2.07673504
     1         -1.40925412         -3.35575470          3.88178154
     1          0.56905560         -1.53916833          5.86303876
     1          1.86695971         -3.97707855          3.99398833

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.125502D+01      0.318995D+01      0.106405D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.125502D+01      0.318995D+01      0.106405D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.706838D+02      0.104743D+02      0.116542D+02
   aniso      0.205228D+02      0.304116D+01      0.338375D+01
   xx         0.599368D+02      0.888172D+01      0.988225D+01
   yx        -0.429091D+01     -0.635847D+00     -0.707475D+00
   yy         0.715971D+02      0.106096D+02      0.118048D+02
   zx        -0.615036D-01     -0.911389D-02     -0.101406D-01
   zy        -0.393226D+01     -0.582701D+00     -0.648343D+00
   zz         0.805175D+02      0.119315D+02      0.132755D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.750287D+02      0.111181D+02      0.123706D+02
   aniso      0.225368D+02      0.333961D+01      0.371581D+01
   xx         0.631836D+02      0.936284D+01      0.104176D+02
   yx        -0.458937D+01     -0.680075D+00     -0.756685D+00
   yy         0.758785D+02      0.112440D+02      0.125107D+02
   zx        -0.257576D+00     -0.381689D-01     -0.424686D-01
   zy        -0.414860D+01     -0.614759D+00     -0.684011D+00
   zz         0.860240D+02      0.127474D+02      0.141834D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-28\Freq\RwB97XD\Gen\C6H10O1\PIERPA\08-Jul-2021\0\\#P 
 wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.561346,1.2
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 1.198655,1.562128,-1.081455\H,-1.551039,1.816556,0.620921\O,-2.436471,
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 4,1.064587\H,1.054617,2.117373,-0.295556\H,0.7678,1.31948,1.24651\C,2.
 468129,-0.457422,0.107541\H,1.085579,-0.017304,-1.466677\H,2.49105,-0.
 538135,1.197571\H,3.202798,0.295018,-0.187539\H,2.788086,-1.416262,-0.
 305093\\Version=ES64L-G16RevA.03\State=1-A\HF=-310.0354198\RMSD=7.668e
 -09\RMSF=1.053e-05\ZeroPoint=0.1488562\Thermal=0.1558059\Dipole=1.1698
 797,0.4473271,-0.0797473\DipoleDeriv=0.0512743,0.0766146,-0.0095125,0.
 0328338,0.051094,-0.055129,0.0027903,-0.0195896,0.1424232,0.1703088,-0
 .0261814,0.0206807,0.025686,0.079845,-0.0114655,-0.0062719,-0.0059541,
 0.1207392,0.0161397,-0.0147294,-0.0027438,-0.1245175,-0.3920475,0.0628
 912,0.037631,0.0691802,0.1367326,1.3607437,0.1597653,-0.016076,0.12640
 11,0.9806406,-0.07362,-0.0243745,-0.0555896,0.1359327,-0.3329365,0.130
 6746,-0.0135403,0.281368,-0.1229308,0.0517877,-0.0658199,0.0263761,0.1
 489167,0.025319,-0.021189,-0.0220876,-0.0117875,0.0466626,0.0138217,-0
 .0682929,0.0395918,-0.0660965,-0.0478523,0.0415837,0.0414038,0.038867,
 0.0201385,-0.0338395,0.058952,-0.0823627,0.0188549,-1.2340793,-0.26362
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 THERE ONCE WAS A GIRL NAMED IRENE,
 WHO LIVED ON DISTILLED KEROSENE,
      BUT SHE STARTED ABSORBIN'
      A NEW HYDROCARBON,
 AND SINCE THEN HAS NEVER BENZENE.
 Job cpu time:       0 days  3 hours 20 minutes 37.2 seconds.
 Elapsed time:       0 days  0 hours 12 minutes 34.4 seconds.
 File lengths (MBytes):  RWF=    222 Int=      0 D2E=      0 Chk=      7 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 22:11:57 2021.
